(2S)-4-methyl-N-[(2S)-4-methyl-1-[[(2S,3S)-5-methyl-1-methylsulfonyl-2-oxidanyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]-2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]pentanamide

Systemtic Name: (2S)-4-methyl-N-[(2S)-4-methyl-1-[[(2S,3S)-5-methyl-1-methylsulfonyl-2-oxidanyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]-2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]pentanamide Openeye Name: (2S)-N-[(1S)-1-[[(1S)-1-[(1S)-1-hydroxy-2-methylsulfonyl-ethyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]-2-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-[[(2S,3S)-2-hydroxy-5-methyl-1-methylsulfonylhexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-(4-hydroxy-3-nitrophenyl)-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3S)-2-hydroxy-5-methyl-1-methylsulfonylhexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-1-[[(1S)-1-[(1S)-1-hydroxy-2-mesyl-ethyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]-2-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]-4-methyl-valeramide Formula: C28H46N4O9S MolecularWeight: 614.75124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CS(=O)(=O)C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CC1=CC(=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H]([C@@H](CS(=O)(=O)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CC1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C28H46N4O9S/c1-16(2)10-20(25(34)15-42(7,40)41)30-28(37)22(12-18(5)6)31-27(36)21(11-17(3)4)29-26(35)14-19-8-9-24(33)23(13-19)32(38)39/h8-9,13,16-18,20-22,25,33-34H,10-12,14-15H2,1-7H3,(H,29,35)(H,30,37)(H,31,36)/t20-,21-,22-,25+/m0/s1