Nh2-met-his-gly-gln-val-asp-cys-ser-pro-gly-ile-trp-gln-leu-asp-cooh

Structural Information

Molecular Formula

C₇₂H₁₀₈N₂₀O₂₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C72H108N20O23S2/c1-8-36(6)59(70(112)85-45(23-37-27-77-41-13-10-9-12-39(37)41)65(107)82-43(16-18-53(75)95)62(104)84-44(22-34(2)3)64(106)87-48(72(114)115)26-57(100)101)90-55(97)30-79-68(110)51-14-11-20-92(51)71(113)49(31-93)88-67(109)50(32-116)89-66(108)47(25-56(98)99)86-69(111)58(35(4)5)91-63(105)42(15-17-52(74)94)81-54(96)29-78-61(103)46(24-38-28-76-33-80-38)83-60(102)40(73)19-21-117-7/h9-10,12-13,27-28,33-36,40,42-51,58-59,77,93,116H,8,11,14-26,29-32,73H2,1-7H3,(H2,74,94)(H2,75,95)(H,76,80)(H,78,103)(H,79,110)(H,81,96)(H,82,107)(H,83,102)(H,84,104)(H,85,112)(H,86,111)(H,87,106)(H,88,109)(H,89,108)(H,90,97)(H,91,105)(H,98,99)(H,100,101)(H,114,115)/t36-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-,59-/m0/s1

InChIKey

SZUMIJPYZPJZHY-RBUWYTBFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 16728937