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

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(2-azanyl-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-(2-azanylethanoyl)-N-butanoyl-pyrrolidine-2-carboxamide; (4S)-4-azanyl-5-(4-hydroxyphenyl)-3-oxidanylidene-pentanoic acid Openeye Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-butanoyl-pyrrolidine-2-carboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid 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; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxopentanoic acid IUPAC Name: (2S)-N-(2-aminoacetyl)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitrophenyl)propanoyl]-N-butanoylpyrrolidine-2-carboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-oxopentanoic acid Traditional Name: (2S)-1-[(2S)-2-amino-3-(2-amino-5-methylsulfinyl-4-nitro-phenyl)propanoyl]-N-butyryl-N-glycyl-pyrrolidine-2-carboxamide; (4S)-4-amino-5-(4-hydroxyphenyl)-3-keto-valeric acid Formula: C32H43N7O11S MolecularWeight: 733.78912

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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.C1=CC(=CC=C1CC(C(=O)CC(=O)O)N)O

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.C1=CC(=CC=C1C[C@@H](C(=O)CC(=O)O)N)O

InChI

InChI=1S/C21H30N6O7S.C11H13NO4/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;12-9(10(14)6-11(15)16)5-7-1-3-8(13)4-2-7/h9-10,14-15H,3-8,11,22-24H2,1-2H3;1-4,9,13H,5-6,12H2,(H,15,16)/t14-,15-,35?;9-/m00/s1