[2-[bis[(2S)-2-azanylpropanoyl]amino]-3-methyl-6-(phenylmethyl)phenyl] (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-oxidanylhexanoylamino)butanoyl]amino]butanoate

Systemtic Name: [2-[bis[(2S)-2-azanylpropanoyl]amino]-3-methyl-6-(phenylmethyl)phenyl] (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-oxidanylhexanoylamino)butanoyl]amino]butanoate Openeye Name: [6-benzyl-2-[bis[(2S)-2-aminopropanoyl]amino]-3-methyl-phenyl] (2S)-2-[[(2S)-2-(3-hydroxyhexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(3-hydroxy-1-oxohexyl)amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid [2-[bis[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-6-(phenylmethyl)phenyl] ester IUPAC Name: [6-benzyl-2-[bis[(2S)-2-aminopropanoyl]amino]-3-methylphenyl] (2S)-2-[[(2S)-2-(3-hydroxyhexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(3-hydroxyhexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid [6-benzyl-2-[bis[(2S)-2-aminopropanoyl]amino]-3-methyl-phenyl] ester Formula: C36H53N5O7 MolecularWeight: 667.83532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OC1=C(C=CC(=C1N(C(=O)C(C)N)C(=O)C(C)N)C)CC2=CC=CC=C2)O

Isomeric SMILES

CCCC(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC1=C(C=CC(=C1N(C(=O)[C@H](C)N)C(=O)[C@H](C)N)C)CC2=CC=CC=C2)O

InChI

InChI=1S/C36H53N5O7/c1-9-13-27(42)19-28(43)39-29(20(2)3)33(44)40-30(21(4)5)36(47)48-32-26(18-25-14-11-10-12-15-25)17-16-22(6)31(32)41(34(45)23(7)37)35(46)24(8)38/h10-12,14-17,20-21,23-24,27,29-30,42H,9,13,18-19,37-38H2,1-8H3,(H,39,43)(H,40,44)/t23-,24-,27?,29-,30-/m0/s1