Tyic(bzl)evedqke

Structural Information

Molecular Formula

C₆₄H₉₅N₁₃O₂₃S

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

InChI

InChI=1S/C64H95N13O23S/c1-6-33(4)53(77-59(94)43(74-61(96)51(67)34(5)78)28-35-15-17-37(79)18-16-35)63(98)75-45(31-101-30-36-12-8-7-9-13-36)60(95)70-41(21-25-48(83)84)57(92)76-52(32(2)3)62(97)71-40(20-24-47(81)82)56(91)73-44(29-50(87)88)58(93)69-39(19-23-46(66)80)55(90)68-38(14-10-11-27-65)54(89)72-42(64(99)100)22-26-49(85)86/h7-9,12-13,15-18,32-34,38-45,51-53,78-79H,6,10-11,14,19-31,65,67H2,1-5H3,(H2,66,80)(H,68,90)(H,69,93)(H,70,95)(H,71,97)(H,72,89)(H,73,91)(H,74,96)(H,75,98)(H,76,92)(H,77,94)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,99,100)/t33-,34+,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-,53-/m0/s1

InChIKey

JNYCGQVRNJGVQS-PCIRTYBOSA-N

Compound name

(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-[[(2S,3R)-2-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]hexanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130298