(2S)-N-[(2S)-2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-oxidanyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-oxidanyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-2-[[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-2-thiazol-2-yl-ethyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(2-thiazolyl)propan-2-yl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methylpentanamide Traditional Name: (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-2-[[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-2-thiazol-2-yl-ethyl]amino]-4-methyl-valeramide Formula: C33H51N5O4S MolecularWeight: 613.85414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCN)NC(CC2CCCCC2)C(C3=NC=CS3)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCN)N[C@@H](CC2CCCCC2)[C@H](C3=NC=CS3)O

InChI

InChI=1S/C33H51N5O4S/c1-23(2)20-27(36-26(21-24-12-6-3-7-13-24)30(40)33-35-18-19-43-33)31(41)38-32(42)28(22-25-14-8-4-9-15-25)37-29(39)16-10-5-11-17-34/h4,8-9,14-15,18-19,23-24,26-28,30,36,40H,3,5-7,10-13,16-17,20-22,34H2,1-2H3,(H,37,39)(H,38,41,42)/t26-,27-,28-,30+/m0/s1