(2S)-5-azanyl-N-[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-2-[2-(3-nitrophenyl)ethanoylamino]pentanamide

Systemtic Name: (2S)-5-azanyl-N-[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-2-[2-(3-nitrophenyl)ethanoylamino]pentanamide Openeye Name: (2S)-5-amino-N-[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]-2-[[2-(3-nitrophenyl)acetyl]amino]pentanamide CAS Name: (2S)-5-amino-N-[(2S)-1-amino-3-(1-naphthalenyl)-1-oxopropan-2-yl]-2-[[2-(3-nitrophenyl)-1-oxoethyl]amino]pentanamide IUPAC Name: (2S)-5-amino-N-[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-[[2-(3-nitrophenyl)acetyl]amino]pentanamide Traditional Name: (2S)-5-amino-N-[(1S)-2-amino-2-keto-1-(1-naphthylmethyl)ethyl]-2-[[2-(3-nitrophenyl)acetyl]amino]valeramide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)N)NC(=O)C(CCCN)NC(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)N)NC(=O)[C@H](CCCN)NC(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O5/c27-13-5-12-22(29-24(32)15-17-6-3-10-20(14-17)31(35)36)26(34)30-23(25(28)33)16-19-9-4-8-18-7-1-2-11-21(18)19/h1-4,6-11,14,22-23H,5,12-13,15-16,27H2,(H2,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1