Yic(bzl)evedqkee

Structural Information

Molecular Formula

C₆₅H₉₅N₁₃O₂₄S

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)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C65H95N13O24S/c1-5-34(4)54(78-55(91)38(67)29-35-14-16-37(79)17-15-35)64(100)76-46(32-103-31-36-11-7-6-8-12-36)62(98)72-43(21-26-50(85)86)60(96)77-53(33(2)3)63(99)73-42(20-25-49(83)84)59(95)75-45(30-52(89)90)61(97)71-40(18-23-47(68)80)57(93)69-39(13-9-10-28-66)56(92)70-41(19-24-48(81)82)58(94)74-44(65(101)102)22-27-51(87)88/h6-8,11-12,14-17,33-34,38-46,53-54,79H,5,9-10,13,18-32,66-67H2,1-4H3,(H2,68,80)(H,69,93)(H,70,92)(H,71,97)(H,72,98)(H,73,99)(H,74,94)(H,75,95)(H,76,100)(H,77,96)(H,78,91)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,101,102)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1

InChIKey

KNWSUGFDYVGTEW-KRJGRLAZSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-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]hexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130161