(Q82892452)

English

N-[2-({2-[(2-{[{1-[N-(2-Amino-1-hydroxy-3-methylbutylidene)leucyl]pyrrolidin-2-yl}(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-meth ylbutylidene]leucine

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

833.5051121040001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₇N₇O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)CC(N=C(O)C(N=C(O)C(Cc1ccccc1)N=C(O)C(Cc1ccccc1)N=C(O)C1CCCN1C(=O)C(CC(C)C)N=C(O)C(N)C(C)C)C(C)C)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C45H67N7O8/c1-26(2)22-34(49-42(56)37(46)28(5)6)44(58)52-21-15-20-36(52)41(55)48-32(24-30-16-11-9-12-17-30)39(53)47-33(25-31-18-13-10-14-19-31)40(54)51-38(29(7)8)43(57)50-35(45(59)60)23-27(3)4/h9-14,16-19,26-29,32-38H,15,20-25,46H2,1-8H3,(H,47,53)(H,48,55)(H,49,56)(H,50,57)(H,51,54)(H,59,60)/t32-,33-,34+,35+,36?,37-,38-/m0/s1

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InChIKey

CMROHJJOEVQGCF-QBYFNBPSSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID601348786

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(Q82892452)

N-[2-({2-[(2-{[{1-[N-(2-Amino-1-hydroxy-3-methylbutylidene)leucyl]pyrrolidin-2-yl}(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-meth ylbutylidene]leucine

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