Sdtyic(bzl)evedqk

Structural Information

Molecular Formula

C₆₆H₉₈N₁₄O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C66H98N14O25S/c1-6-33(4)53(79-60(98)43(26-35-15-17-37(83)18-16-35)76-65(103)54(34(5)82)80-61(99)45(28-51(91)92)74-55(93)38(68)29-81)64(102)77-46(31-106-30-36-12-8-7-9-13-36)62(100)71-41(21-24-49(87)88)58(96)78-52(32(2)3)63(101)72-40(20-23-48(85)86)57(95)75-44(27-50(89)90)59(97)70-39(19-22-47(69)84)56(94)73-42(66(104)105)14-10-11-25-67/h7-9,12-13,15-18,32-34,38-46,52-54,81-83H,6,10-11,14,19-31,67-68H2,1-5H3,(H2,69,84)(H,70,97)(H,71,100)(H,72,101)(H,73,94)(H,74,93)(H,75,95)(H,76,103)(H,77,102)(H,78,96)(H,79,98)(H,80,99)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,104,105)/t33-,34+,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-/m0/s1

InChIKey

VQILLEVGXWMUKJ-SUQMENQRSA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-benzylsulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130901