Human adrenomedullin

Structural Information

Molecular Formula

C₂₆₄H₄₀₆N₈₀O₇₇S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC3=CC=CC=C3)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C264H406N80O77S3/c1-19-132(10)207(335-200(366)120-294-216(377)160(78-84-189(270)355)308-234(395)171(107-142-52-30-24-31-53-142)322-237(398)176(112-196(277)362)324-238(399)175(111-195(276)361)323-230(391)166(90-101-422-18)312-245(406)182(123-346)332-229(390)163(81-87-192(273)358)309-220(381)156(60-42-95-289-261(280)281)302-215(376)151(269)103-144-66-72-148(352)73-67-144)253(414)315-159(63-45-98-292-264(286)287)226(387)331-183(124-347)246(407)320-170(106-141-50-28-23-29-51-141)219(380)295-119-199(365)301-185-126-423-424-127-186(334-256(417)210(137(15)349)336-201(367)121-296-218(379)169(105-140-48-26-22-27-49-140)319-224(385)157(307-247(185)408)61-43-96-290-262(282)283)248(409)342-212(139(17)351)258(419)338-206(131(8)9)252(413)316-164(82-88-193(274)359)227(388)303-152(56-34-38-91-265)221(382)318-168(102-129(4)5)233(394)298-135(13)214(375)317-174(110-147-117-288-128-297-147)236(397)311-165(83-89-194(275)360)232(393)340-208(133(11)20-2)254(415)328-172(109-146-70-76-150(354)77-71-146)235(396)310-162(80-86-191(272)357)228(389)321-173(108-143-54-32-25-33-55-143)242(403)341-211(138(16)350)257(418)329-180(116-204(372)373)240(401)305-154(58-36-40-93-267)222(383)326-178(114-202(368)369)239(400)304-153(57-35-39-92-266)223(384)327-179(115-203(370)371)241(402)325-177(113-197(278)363)243(404)337-205(130(6)7)251(412)299-136(14)259(420)343-99-46-64-187(343)249(410)313-158(62-44-97-291-263(284)285)225(386)330-181(122-345)244(405)306-155(59-37-41-94-268)231(392)339-209(134(12)21-3)255(416)333-184(125-348)260(421)344-100-47-65-188(344)250(411)314-161(79-85-190(271)356)217(378)293-118-198(364)300-167(213(279)374)104-145-68-74-149(353)75-69-145/h22-33,48-55,66-77,117,128-139,151-188,205-212,345-354H,19-21,34-47,56-65,78-116,118-127,265-269H2,1-18H3,(H2,270,355)(H2,271,356)(H2,272,357)(H2,273,358)(H2,274,359)(H2,275,360)(H2,276,361)(H2,277,362)(H2,278,363)(H2,279,374)(H,288,297)(H,293,378)(H,294,377)(H,295,380)(H,296,379)(H,298,394)(H,299,412)(H,300,364)(H,301,365)(H,302,376)(H,303,388)(H,304,400)(H,305,401)(H,306,405)(H,307,408)(H,308,395)(H,309,381)(H,310,396)(H,311,397)(H,312,406)(H,313,410)(H,314,411)(H,315,414)(H,316,413)(H,317,375)(H,318,382)(H,319,385)(H,320,407)(H,321,389)(H,322,398)(H,323,391)(H,324,399)(H,325,402)(H,326,383)(H,327,384)(H,328,415)(H,329,418)(H,330,386)(H,331,387)(H,332,390)(H,333,416)(H,334,417)(H,335,366)(H,336,367)(H,337,404)(H,338,419)(H,339,392)(H,340,393)(H,341,403)(H,342,409)(H,368,369)(H,370,371)(H,372,373)(H4,280,281,289)(H4,282,283,290)(H4,284,285,291)(H4,286,287,292)/t132-,133-,134-,135-,136-,137+,138+,139+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,205-,206-,207-,208-,209-,210-,211-,212-/m0/s1

InChIKey

ULCUCJFASIJEOE-NPECTJMMSA-N

Compound name

(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,13S,16S,19R)-19-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[2-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 56841671
• CID 91976826