tert-butyl N-[(2R)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(4S,5R,6R,7R)-2-methyl-12-(methylamino)-5,6-bis(oxidanyl)-8-oxidanylidene-7-propan-2-yl-dodecan-4-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(4S,5R,6R,7R)-2-methyl-12-(methylamino)-5,6-bis(oxidanyl)-8-oxidanylidene-7-propan-2-yl-dodecan-4-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-benzyl-2-[[(1S)-2-[[(1S,2R,3R,4R)-2,3-dihydroxy-1-isobutyl-4-isopropyl-9-(methylamino)-5-oxo-nonyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S)-1-[[(4S,5R,6R,7R)-5,6-dihydroxy-2-methyl-12-(methylamino)-8-oxo-7-propan-2-yldodecan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S)-1-[[(4S,5R,6R,7R)-5,6-dihydroxy-2-methyl-12-(methylamino)-8-oxo-7-propan-2-yldodecan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-[[(1S)-2-[[(1S,2R,3R,4R)-2,3-dihydroxy-1-isobutyl-4-isopropyl-5-keto-9-(methylamino)nonyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C37H60N6O7 MolecularWeight: 700.9083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(C(C(C)C)C(=O)CCCCNC)O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@H]([C@@H]([C@@H](C(C)C)C(=O)CCCCNC)O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H60N6O7/c1-23(2)18-27(32(45)33(46)31(24(3)4)30(44)16-12-13-17-38-8)41-35(48)29(20-26-21-39-22-40-26)42-34(47)28(19-25-14-10-9-11-15-25)43-36(49)50-37(5,6)7/h9-11,14-15,21-24,27-29,31-33,38,45-46H,12-13,16-20H2,1-8H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)/t27-,28+,29-,31-,32+,33+/m0/s1