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

Structural Information

Molecular Formula

C₇₃H₁₁₁N₁₉O₂₃S₂

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)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C73H111N19O23S2/c1-10-36(8)58(90-54(96)28-78-68(109)52-16-13-19-92(52)72(113)49(29-93)87-66(107)50(30-116)88-65(106)47(25-56(99)100)83-69(110)57(75)35(6)7)70(111)84-44(22-38-26-77-41-15-12-11-14-40(38)41)62(103)80-42(17-18-53(74)95)60(101)81-43(20-33(2)3)61(102)82-46(24-55(97)98)64(105)89-51(31-117)67(108)91-59(37(9)94)71(112)85-45(23-39-27-76-32-79-39)63(104)86-48(73(114)115)21-34(4)5/h11-12,14-15,26-27,32-37,42-52,57-59,77,93-94,116-117H,10,13,16-25,28-31,75H2,1-9H3,(H2,74,95)(H,76,79)(H,78,109)(H,80,103)(H,81,101)(H,82,102)(H,83,110)(H,84,111)(H,85,112)(H,86,104)(H,87,107)(H,88,106)(H,89,105)(H,90,96)(H,91,108)(H,97,98)(H,99,100)(H,114,115)/t36-,37+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-/m0/s1

InChIKey

UZQQDAUFTCNFDA-ZQGLTYMFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-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]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16728938