His-ah(74-114)

Structural Information

Molecular Formula

C₂₄₆H₃₄₃N₇₃O₇₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C246H343N73O72/c1-19-121(14)201(315-230(376)156(73-127-36-48-140(325)49-37-127)282-193(343)103-270-209(355)171(88-185(253)335)303-235(381)178(107-320)310-220(366)160(76-130-42-54-143(328)55-43-130)293-218(364)157(72-126-29-21-20-22-30-126)292-215(361)154(69-115(2)3)291-223(369)165(82-136-97-262-111-276-136)299-225(371)167(84-138-99-264-113-278-138)301-226(372)168(85-139-100-265-114-279-139)300-224(370)166(83-137-98-263-112-277-137)298-222(368)164(81-135-96-261-110-275-135)290-206(352)147(248)80-134-95-260-109-274-134)243(389)288-152(61-64-182(250)332)212(358)304-175(92-189(257)339)234(380)314-198(118(8)9)240(386)287-153(62-65-195(345)346)214(360)316-202(123(16)322)238(384)272-105-192(342)281-149(34-27-67-266-246(258)259)213(359)312-199(119(10)11)241(387)307-155(70-116(4)5)216(362)306-176(93-196(347)348)229(375)311-179(108-321)236(382)305-174(91-188(256)338)228(374)295-159(75-129-40-52-142(327)53-41-129)219(365)302-170(87-184(252)334)208(354)271-104-194(344)284-173(90-187(255)337)233(379)313-200(120(12)13)242(388)308-162(78-132-46-58-145(330)59-47-132)232(378)318-204(125(18)324)244(390)309-177(71-117(6)7)245(391)319-68-28-35-180(319)237(383)280-122(15)205(351)289-169(86-183(251)333)207(353)269-101-190(340)268-102-191(341)283-172(89-186(254)336)227(373)294-158(74-128-38-50-141(326)51-39-128)217(363)286-151(60-63-181(249)331)211(357)285-150(33-25-26-66-247)210(356)297-163(79-133-94-267-148-32-24-23-31-146(133)148)221(367)296-161(77-131-44-56-144(329)57-45-131)231(377)317-203(124(17)323)239(385)273-106-197(349)350/h20-24,29-32,36-59,94-100,109-125,147,149-180,198-204,267,320-330H,19,25-28,33-35,60-93,101-108,247-248H2,1-18H3,(H2,249,331)(H2,250,332)(H2,251,333)(H2,252,334)(H2,253,335)(H2,254,336)(H2,255,337)(H2,256,338)(H2,257,339)(H,260,274)(H,261,275)(H,262,276)(H,263,277)(H,264,278)(H,265,279)(H,268,340)(H,269,353)(H,270,355)(H,271,354)(H,272,384)(H,273,385)(H,280,383)(H,281,342)(H,282,343)(H,283,341)(H,284,344)(H,285,357)(H,286,363)(H,287,386)(H,288,389)(H,289,351)(H,290,352)(H,291,369)(H,292,361)(H,293,364)(H,294,373)(H,295,374)(H,296,367)(H,297,356)(H,298,368)(H,299,371)(H,300,370)(H,301,372)(H,302,365)(H,303,381)(H,304,358)(H,305,382)(H,306,362)(H,307,387)(H,308,388)(H,309,390)(H,310,366)(H,311,375)(H,312,359)(H,313,379)(H,314,380)(H,315,376)(H,316,360)(H,317,377)(H,318,378)(H,345,346)(H,347,348)(H,349,350)(H4,258,259,266)/t121-,122-,123+,124+,125+,147-,149-,150-,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-,198-,199-,200-,201-,202-,203-,204-/m0/s1

InChIKey

XBVHNEAQOUIWKG-XCYDZDSKSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133748