N-[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-[[(4-nitrophenyl)carbonylamino]methyl]benzamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-[[(4-nitrophenyl)carbonylamino]methyl]benzamide Openeye Name: N-[(1S)-1-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-4-[[(4-nitrobenzoyl)amino]methyl]benzamide CAS Name: N-[(2S)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]benzamide IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-[[(4-nitrobenzoyl)amino]methyl]benzamide Traditional Name: N-[(1S)-1-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]-4-guanidino-butyl]-4-[[(4-nitrobenzoyl)amino]methyl]benzamide Formula: C34H36N8O6 MolecularWeight: 652.69964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C34H36N8O6/c35-30(43)29(19-22-9-10-23-4-1-2-5-26(23)18-22)41-33(46)28(6-3-17-38-34(36)37)40-32(45)25-11-7-21(8-12-25)20-39-31(44)24-13-15-27(16-14-24)42(47)48/h1-2,4-5,7-16,18,28-29H,3,6,17,19-20H2,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H4,36,37,38)/t28-,29-/m0/s1