Human lactoferricin

Structural Information

Molecular Formula

C₂₄₇H₄₀₂N₇₄O₅₉S₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C247H402N74O59S5/c1-122(2)98-163(297-199(337)135(26)279-188(331)114-277-203(341)164(99-123(3)4)298-221(359)172(107-140-58-37-33-38-59-140)303-218(356)167(102-126(9)10)300-219(357)168(103-127(11)12)308-235(373)193(131(19)20)315-227(365)170(105-129(15)16)301-222(360)173(108-141-60-39-34-40-61-141)309-236(374)194(132(21)22)316-226(364)169(104-128(13)14)299-208(346)150(66-45-47-87-248)284-201(339)146(250)85-96-384-30)202(340)278-116-190(333)283-165(100-124(5)6)217(355)313-180(120-382)230(368)302-166(101-125(7)8)216(354)280-134(25)198(336)276-115-189(332)282-149(68-49-89-268-242(256)257)205(343)285-152(69-50-90-269-243(258)259)206(344)286-153(70-51-91-270-244(260)261)207(345)287-155(72-53-93-272-246(264)265)210(348)310-178(118-323)229(367)317-192(130(17)18)234(372)294-158(77-82-185(253)328)214(352)306-175(110-143-113-275-148-65-44-42-63-145(143)148)224(362)314-181(121-383)232(370)320-197(138(29)325)239(377)318-195(133(23)24)237(375)311-177(117-322)228(366)295-161(78-83-186(254)329)240(378)321-95-55-74-182(321)233(371)292-159(79-84-191(334)335)204(342)281-136(27)200(338)319-196(137(28)324)238(376)293-151(67-46-48-88-249)211(349)312-179(119-381)231(369)304-171(106-139-56-35-32-36-57-139)220(358)289-157(76-81-184(252)327)213(351)305-174(109-142-112-274-147-64-43-41-62-144(142)147)223(361)290-156(75-80-183(251)326)212(350)288-154(71-52-92-271-245(262)263)209(347)307-176(111-187(255)330)225(363)291-160(86-97-385-31)215(353)296-162(241(379)380)73-54-94-273-247(266)267/h32-44,56-65,112-113,122-138,146,149-182,192-197,274-275,322-325,381-383H,45-55,66-111,114-121,248-250H2,1-31H3,(H2,251,326)(H2,252,327)(H2,253,328)(H2,254,329)(H2,255,330)(H,276,336)(H,277,341)(H,278,340)(H,279,331)(H,280,354)(H,281,342)(H,282,332)(H,283,333)(H,284,339)(H,285,343)(H,286,344)(H,287,345)(H,288,350)(H,289,358)(H,290,361)(H,291,363)(H,292,371)(H,293,376)(H,294,372)(H,295,366)(H,296,353)(H,297,337)(H,298,359)(H,299,346)(H,300,357)(H,301,360)(H,302,368)(H,303,356)(H,304,369)(H,305,351)(H,306,352)(H,307,347)(H,308,373)(H,309,374)(H,310,348)(H,311,375)(H,312,349)(H,313,355)(H,314,362)(H,315,365)(H,316,364)(H,317,367)(H,318,377)(H,319,338)(H,320,370)(H,334,335)(H,379,380)(H4,256,257,268)(H4,258,259,269)(H4,260,261,270)(H4,262,263,271)(H4,264,265,272)(H4,266,267,273)/t134-,135-,136-,137+,138+,146-,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-,181-,182-,192-,193-,194-,195-,196-,197-/m0/s1

InChIKey

WISDICMPAIHEAS-IUJIASFXSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131669