tert-butyl N-[(4S,5S,7R)-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]amino]-5-oxidanyl-8-oxidanylidene-octan-4-yl]carbamate

Systemtic Name: tert-butyl N-[(4S,5S,7R)-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]amino]-5-oxidanyl-8-oxidanylidene-octan-4-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4R)-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-1-isobutyl-4-methyl-5-oxo-pentyl]carbamate CAS Name: N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]amino]-8-oxooctan-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4S,5S,7R)-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]carbamate Traditional Name: N-[(1S,2S,4R)-5-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-1-isobutyl-5-keto-4-methyl-pentyl]carbamic acid tert-butyl ester Formula: C27H45N3O5 MolecularWeight: 491.6633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCC1=CC=CC=C1)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)C(=O)N[C@@H](C(C)C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C27H45N3O5/c1-17(2)14-21(29-26(34)35-27(6,7)8)22(31)15-19(5)24(32)30-23(18(3)4)25(33)28-16-20-12-10-9-11-13-20/h9-13,17-19,21-23,31H,14-16H2,1-8H3,(H,28,33)(H,29,34)(H,30,32)/t19-,21+,22+,23+/m1/s1