(2S)-3-methyl-N-[(2S)-1-[[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-azepin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide

Systemtic Name: (2S)-3-methyl-N-[(2S)-1-[[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-azepin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanyl-butanamide Openeye Name: (2S)-2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-azepin-3-yl]amino]-2-oxo-ethyl]butanamide CAS Name: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-azepin-3-yl]amino]-1-oxopropan-2-yl]butanamide IUPAC Name: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-azepin-3-yl]amino]-1-oxopropan-2-yl]butanamide Traditional Name: (2S)-2-hydroxy-N-[(1S)-2-keto-2-[[(3S)-2-keto-1-methyl-5-phenyl-3H-azepin-3-yl]amino]-1-methyl-ethyl]-3-methyl-butyramide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC1C=C(C=CN(C1=O)C)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1C=C(C=CN(C1=O)C)C2=CC=CC=C2)NC(=O)[C@H](C(C)C)O

InChI

InChI=1S/C21H27N3O4/c1-13(2)18(25)20(27)22-14(3)19(26)23-17-12-16(10-11-24(4)21(17)28)15-8-6-5-7-9-15/h5-14,17-18,25H,1-4H3,(H,22,27)(H,23,26)/t14-,17-,18-/m0/s1