(2R)-4-methyl-2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-5,6,8,9-tetrahydrobenzo[7]annulen-8-yl]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-5,6,8,9-tetrahydrobenzo[7]annulen-8-yl]pentanoic acid Openeye Name: (2R)-4-methyl-2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-5,6,8,9-tetrahydrobenzo[7]annulen-8-yl]pentanoic acid CAS Name: (2R)-2-[(6S)-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-7-oxo-5,6,8,9-tetrahydrobenzo[7]annulen-8-yl]-4-methylpentanoic acid IUPAC Name: (2R)-4-methyl-2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-5,6,8,9-tetrahydrobenzo[7]annulen-8-yl]pentanoic acid Traditional Name: (2R)-2-[(6S)-7-keto-6-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-5,6,8,9-tetrahydrobenzocyclohepten-8-yl]-4-methyl-valeric acid Formula: C26H31NO4S MolecularWeight: 453.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=CC=CC=C2CC(C1=O)NC(=O)C(CC3=CC=CC=C3)S)C(=O)O

Isomeric SMILES

CC(C)C[C@H](C1CC2=CC=CC=C2C[C@@H](C1=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O

InChI

InChI=1S/C26H31NO4S/c1-16(2)12-21(26(30)31)20-14-18-10-6-7-11-19(18)15-22(24(20)28)27-25(29)23(32)13-17-8-4-3-5-9-17/h3-11,16,20-23,32H,12-15H2,1-2H3,(H,27,29)(H,30,31)/t20?,21-,22+,23+/m1/s1