Nh2-gly-arg-cys-leu-his-tyr-thr-val-asp-lys-ser-lys-pro-lys-val-oh

Structural Information

Molecular Formula

C₇₆H₁₂₇N₂₃O₂₁S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O

InChI

InChI=1S/C76H127N23O21S/c1-39(2)30-50(90-70(114)55(37-121)95-62(106)46(86-57(103)34-80)19-14-28-84-76(81)82)65(109)92-52(32-44-35-83-38-85-44)66(110)91-51(31-43-21-23-45(102)24-22-43)68(112)98-61(42(7)101)73(117)96-59(40(3)4)72(116)93-53(33-58(104)105)67(111)87-47(16-8-11-25-77)63(107)94-54(36-100)69(113)89-49(18-10-13-27-79)74(118)99-29-15-20-56(99)71(115)88-48(17-9-12-26-78)64(108)97-60(41(5)6)75(119)120/h21-24,35,38-42,46-56,59-61,100-102,121H,8-20,25-34,36-37,77-80H2,1-7H3,(H,83,85)(H,86,103)(H,87,111)(H,88,115)(H,89,113)(H,90,114)(H,91,110)(H,92,109)(H,93,116)(H,94,107)(H,95,106)(H,96,117)(H,97,108)(H,98,112)(H,104,105)(H,119,120)(H4,81,82,84)/t42-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,59+,60+,61+/m1/s1

InChIKey

AIUYUBPSGUWJIZ-WEPZVSLJSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 25078083