(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-tert-butylphenyl)methyl]-3,3-dimethyl-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]-7-[(4-tert-butylphenyl)methyl]-3,3-dimethyl-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]-7-[(4-tert-butylphenyl)methyl]-3,3-dimethyl-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]-7-[(4-tert-butylphenyl)methyl]-3,3-dimethyl-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]-7-[(4-tert-butylphenyl)methyl]-3,3-dimethyl-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]-7-(4-tert-butylbenzyl)-6,9-diketo-3,3-dimethyl-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Formula: C30H40N4O6S2 MolecularWeight: 616.7918

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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)C(C)(C)C)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)C(C)(C)C)C(=O)O)C

InChI

InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1