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-(benzamidomethyl)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-(benzamidomethyl)benzamide Openeye Name: N-[(1S)-1-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-4-(benzamidomethyl)benzamide CAS Name: N-[(2S)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-(benzamidomethyl)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-(benzamidomethyl)benzamide Traditional Name: N-[(1S)-1-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]-4-guanidino-butyl]-4-(benzamidomethyl)benzamide Formula: C34H37N7O4 MolecularWeight: 607.70208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C34H37N7O4/c35-30(42)29(20-23-14-15-24-7-4-5-10-27(24)19-23)41-33(45)28(11-6-18-38-34(36)37)40-32(44)26-16-12-22(13-17-26)21-39-31(43)25-8-2-1-3-9-25/h1-5,7-10,12-17,19,28-29H,6,11,18,20-21H2,(H2,35,42)(H,39,43)(H,40,44)(H,41,45)(H4,36,37,38)/t28-,29-/m0/s1