(2S)-N-[4-[bis(azanyl)methylideneamino]butyl]-1-[(2S)-4-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[bis(azanyl)methylideneamino]butyl]-1-[(2S)-4-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-guanidinobutyl)-1-[(2S)-4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(diaminomethylideneamino)butyl]-1-[(2S)-4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-guanidinobutyl)-1-[(2S)-4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]pyrrolidine-2-carboxamide Formula: C23H35N7O5 MolecularWeight: 489.5679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCCCCN=C(N)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1