(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-[(4-nitrophenyl)methyl]-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid

Systemtic Name: (4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-[(4-nitrophenyl)methyl]-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Openeye Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-[(4-nitrophenyl)methyl]-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid CAS Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,3-dimethyl-7-[(4-nitrophenyl)methyl]-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid IUPAC Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-[(4-nitrophenyl)methyl]-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Traditional Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6,9-diketo-3,3-dimethyl-7-(4-nitrobenzyl)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Formula: C26H31N5O8S2 MolecularWeight: 605.68304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(NC(=O)C(CSS1)NC(=O)C(CC2=CC=C(C=C2)O)N)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1([C@H](NC(=O)[C@@H](NC(=O)[C@H](CSS1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C26H31N5O8S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-3-7-16(8-4-15)31(38)39)28-24(35)20(13-40-41-26)29-22(33)18(27)11-14-5-9-17(32)10-6-14/h3-10,18-21,32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1