(2R)-2-[(2-azanyl-1,3-thiazol-4-yl)methyl]-N-[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-N'-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N'-[(1S)-1-phenylethyl]butanediamide

Systemtic Name: (2R)-2-[(2-azanyl-1,3-thiazol-4-yl)methyl]-N-[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-N'-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N'-[(1S)-1-phenylethyl]butanediamide Openeye Name: (2R)-2-[(2-aminothiazol-4-yl)methyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-N'-[2-(dimethylamino)-2-oxo-ethyl]-N'-[(1S)-1-phenylethyl]butanediamide CAS Name: (2R)-2-[(2-amino-4-thiazolyl)methyl]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-[2-(dimethylamino)-2-oxoethyl]-N'-[(1S)-1-phenylethyl]butanediamide IUPAC Name: (2R)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-[2-(dimethylamino)-2-oxoethyl]-N'-[(1S)-1-phenylethyl]butanediamide Traditional Name: (2R)-2-[(2-aminothiazol-4-yl)methyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-N'-[2-(dimethylamino)-2-keto-ethyl]-N'-[(1S)-1-phenylethyl]succinamide Formula: C34H53N5O5S MolecularWeight: 643.88012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC(=N2)N)CC(=O)N(CC(=O)N(C)C)C(C)C3=CC=CC=C3)O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC(=O)N(C)C)C(=O)C[C@@H](CC2=CSC(=N2)N)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](CC(C)C)O)O

InChI

InChI=1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1