(2S)-3-methyl-2-[[(3S,4S)-6-methyl-4-[[3-[methyl-(phenylmethyl)sulfonyl-amino]phenyl]carbonylamino]-3-oxidanyl-heptanoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(3S,4S)-6-methyl-4-[[3-[methyl-(phenylmethyl)sulfonyl-amino]phenyl]carbonylamino]-3-oxidanyl-heptanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(3S,4S)-4-[[3-[benzylsulfonyl(methyl)amino]benzoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[[3-[methyl-(phenylmethyl)sulfonylamino]phenyl]-oxomethyl]amino]-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(3S,4S)-4-[[3-[benzylsulfonyl(methyl)amino]benzoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(3S,4S)-4-[[3-[benzylsulfonyl(methyl)amino]benzoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C28H39N3O7S MolecularWeight: 561.69016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C1=CC(=CC=C1)N(C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](C(C)C)C(=O)O)O)NC(=O)C1=CC(=CC=C1)N(C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C28H39N3O7S/c1-18(2)14-23(24(32)16-25(33)30-26(19(3)4)28(35)36)29-27(34)21-12-9-13-22(15-21)31(5)39(37,38)17-20-10-7-6-8-11-20/h6-13,15,18-19,23-24,26,32H,14,16-17H2,1-5H3,(H,29,34)(H,30,33)(H,35,36)/t23-,24-,26-/m0/s1