(2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[2-(methylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-1-[2-(methylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]-1-sarcosyl-pyrrolidine-2-carboxamide Formula: C20H30N8O5 MolecularWeight: 462.5028

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H30N8O5/c1-23-12-17(29)27-11-3-5-16(27)19(31)26-15(4-2-10-24-20(21)22)18(30)25-13-6-8-14(9-7-13)28(32)33/h6-9,15-16,23H,2-5,10-12H2,1H3,(H,25,30)(H,26,31)(H4,21,22,24)/t15-,16-/m0/s1