(2S)-2-azanyl-N-[(3R)-1-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-pyrrolidin-3-yl]-6-[(2-methylphenyl)carbamoylamino]hexanamide

Systemtic Name: (2S)-2-azanyl-N-[(3R)-1-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-oxidanylidene-pyrrolidin-3-yl]-6-[(2-methylphenyl)carbamoylamino]hexanamide Openeye Name: (2S)-2-amino-N-[(3R)-1-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-oxo-pyrrolidin-3-yl]-6-(o-tolylcarbamoylamino)hexanamide CAS Name: (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxo-3-pyrrolidinyl]-6-[[(2-methylanilino)-oxomethyl]amino]hexanamide IUPAC Name: (2S)-2-amino-N-[(3R)-1-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidin-3-yl]-6-[(2-methylphenyl)carbamoylamino]hexanamide Traditional Name: (2S)-2-amino-N-[(3R)-1-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-keto-pyrrolidin-3-yl]-6-(o-tolylcarbamoylamino)hexanamide Formula: C27H36N6O4 MolecularWeight: 508.61254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCCCC(C(=O)NC2CC(=O)N(C2)C(CC3=CC=CC=C3)C(=O)N)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCCC[C@@H](C(=O)N[C@@H]2CC(=O)N(C2)[C@@H](CC3=CC=CC=C3)C(=O)N)N

InChI

InChI=1S/C27H36N6O4/c1-18-9-5-6-13-22(18)32-27(37)30-14-8-7-12-21(28)26(36)31-20-16-24(34)33(17-20)23(25(29)35)15-19-10-3-2-4-11-19/h2-6,9-11,13,20-21,23H,7-8,12,14-17,28H2,1H3,(H2,29,35)(H,31,36)(H2,30,32,37)/t20-,21+,23+/m1/s1