(2S)-1-[(2S)-2-azanyl-3-(2-azanyl-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-(2-azanylethanoyl)-N-butanoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(2-azanyl-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-(2-azanylethanoyl)-N-butanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-butanoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitrophenyl)-1-oxopropyl]-N-(2-amino-1-oxoethyl)-N-(1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitrophenyl)propanoyl]-N-butanoylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-butyryl-N-glycyl-pyrrolidine-2-carboxamide Formula: C21H30N6O7S MolecularWeight: 510.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C(=O)CN)C(=O)C1CCCN1C(=O)C(CC2=CC(=C(C=C2N)[N+](=O)[O-])S(=O)C)N

Isomeric SMILES

CCCC(=O)N(C(=O)CN)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC(=C(C=C2N)[N+](=O)[O-])S(=O)C)N

InChI

InChI=1S/C21H30N6O7S/c1-3-5-18(28)26(19(29)11-22)21(31)15-6-4-7-25(15)20(30)14(24)8-12-9-17(35(2)34)16(27(32)33)10-13(12)23/h9-10,14-15H,3-8,11,22-24H2,1-2H3/t14-,15-,35?/m0/s1