(2S)-1-(2-azanyl-3-naphthalen-1-yl-propanoyl)-N-[1-[bis(azanyl)methylideneamino]-5,8-bis(oxidanylidene)-8-piperidin-1-yl-octan-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(2-azanyl-3-naphthalen-1-yl-propanoyl)-N-[1-[bis(azanyl)methylideneamino]-5,8-bis(oxidanylidene)-8-piperidin-1-yl-octan-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-amino-3-(1-naphthyl)propanoyl]-N-[1-(3-guanidinopropyl)-2,5-dioxo-5-(1-piperidyl)pentyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[2-amino-3-(1-naphthalenyl)-1-oxopropyl]-N-[1-(diaminomethylideneamino)-5,8-dioxo-8-(1-piperidinyl)octan-4-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(2-amino-3-naphthalen-1-ylpropanoyl)-N-[1-(diaminomethylideneamino)-5,8-dioxo-8-piperidin-1-yloctan-4-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-amino-3-(1-naphthyl)propanoyl]-N-[1-(3-guanidinopropyl)-2,5-diketo-5-piperidino-pentyl]pyrrolidine-2-carboxamide Formula: C32H45N7O4 MolecularWeight: 591.7442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

C1CCN(CC1)C(=O)CCC(=O)C(CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)C(CC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C32H45N7O4/c33-25(21-23-11-6-10-22-9-2-3-12-24(22)23)31(43)39-20-8-14-27(39)30(42)37-26(13-7-17-36-32(34)35)28(40)15-16-29(41)38-18-4-1-5-19-38/h2-3,6,9-12,25-27H,1,4-5,7-8,13-21,33H2,(H,37,42)(H4,34,35,36)/t25?,26?,27-/m0/s1