(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-[(4-methylphenyl)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-methylphenyl)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-6,9-dioxo-7-(p-tolylmethyl)-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-methylphenyl)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-methylphenyl)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-methylbenzyl)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Formula: C27H34N4O6S2 MolecularWeight: 574.71206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(=O)NC(C(SSCC(C(=O)N2)NC(=O)C(CC3=CC=C(C=C3)O)N)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H]2C(=O)N[C@@H](C(SSC[C@@H](C(=O)N2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)(C)C)C(=O)O

InChI

InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1