3-[(2S)-3-[4-[3-[bis(azanyl)methylideneamino]propanoyl]piperazin-1-yl]-2-(2-naphthalen-1-ylethylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-3-[4-[3-[bis(azanyl)methylideneamino]propanoyl]piperazin-1-yl]-2-(2-naphthalen-1-ylethylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-[4-(3-guanidinopropanoyl)piperazin-1-yl]-2-[2-(1-naphthyl)ethylsulfonylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-[4-[3-(diaminomethylideneamino)-1-oxopropyl]-1-piperazinyl]-2-[2-(1-naphthalenyl)ethylsulfonylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-[4-[3-(diaminomethylideneamino)propanoyl]piperazin-1-yl]-2-(2-naphthalen-1-ylethylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-[4-(3-guanidinopropanoyl)piperazino]-3-keto-2-[2-(1-naphthyl)ethylsulfonylamino]propyl]benzamidine Formula: C30H38N8O4S MolecularWeight: 606.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN=C(N)N)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C(=O)CCN=C(N)N)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H38N8O4S/c31-28(32)24-9-3-5-21(19-24)20-26(29(40)38-16-14-37(15-17-38)27(39)11-13-35-30(33)34)36-43(41,42)18-12-23-8-4-7-22-6-1-2-10-25(22)23/h1-10,19,26,36H,11-18,20H2,(H3,31,32)(H4,33,34,35)/t26-/m0/s1