Sdtyic(bzl)evedqkee

Structural Information

Molecular Formula

C₇₆H₁₁₂N₁₆O₃₁S

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

InChI

InChI=1S/C76H112N16O31S/c1-6-37(4)61(91-70(116)49(30-39-15-17-41(95)18-16-39)88-75(121)62(38(5)94)92-71(117)51(32-59(107)108)86-63(109)42(78)33-93)74(120)89-52(35-124-34-40-12-8-7-9-13-40)72(118)83-47(22-27-56(101)102)68(114)90-60(36(2)3)73(119)84-46(21-26-55(99)100)67(113)87-50(31-58(105)106)69(115)82-44(19-24-53(79)96)65(111)80-43(14-10-11-29-77)64(110)81-45(20-25-54(97)98)66(112)85-48(76(122)123)23-28-57(103)104/h7-9,12-13,15-18,36-38,42-52,60-62,93-95H,6,10-11,14,19-35,77-78H2,1-5H3,(H2,79,96)(H,80,111)(H,81,110)(H,82,115)(H,83,118)(H,84,119)(H,85,112)(H,86,109)(H,87,113)(H,88,121)(H,89,120)(H,90,114)(H,91,116)(H,92,117)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,122,123)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,60-,61-,62-/m0/s1

InChIKey

PAIDDGFWRYOUDA-GIXFPPAPSA-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-[[(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]hexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16197275