1-[2-[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethanoylamino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]ethanoylamino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-[[2-[[4-methylsulfinyl-2-(tyrosylamino)butanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C30H39N7O9S MolecularWeight: 673.73716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CS(=O)CCC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C30H39N7O9S/c1-47(46)14-12-23(35-28(41)22(31)15-18-6-10-21(38)11-7-18)29(42)33-17-26(39)34-24(16-19-4-8-20(9-5-19)37(44)45)30(43)36-13-2-3-25(36)27(32)40/h4-11,22-25,38H,2-3,12-17,31H2,1H3,(H2,32,40)(H,33,42)(H,34,39)(H,35,41)