N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[(1S)-1-[[(1S)-2-amino-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-2-amino-1-(4-benzoxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N)NC(=O)N3CCCCCC3

InChI

InChI=1S/C29H40N4O4/c1-21(2)18-26(32-29(36)33-16-8-3-4-9-17-33)28(35)31-25(27(30)34)19-22-12-14-24(15-13-22)37-20-23-10-6-5-7-11-23/h5-7,10-15,21,25-26H,3-4,8-9,16-20H2,1-2H3,(H2,30,34)(H,31,35)(H,32,36)/t25-,26-/m0/s1