tert-butyl N-[(2S)-3-methyl-1-[[(2S,3R,4S)-6-methyl-1-naphthalen-1-yl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-methyl-1-[[(2S,3R,4S)-6-methyl-1-naphthalen-1-yl-3,4-bis(oxidanyl)heptan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S,2R,3S)-2,3-dihydroxy-5-methyl-1-(1-naphthylmethyl)hexyl]carbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-(1-naphthalenyl)heptan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-naphthalen-1-ylheptan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2R,3S)-2,3-dihydroxy-5-methyl-1-(1-naphthylmethyl)hexyl]carbamoyl]-2-methyl-butyl]carbamic acid tert-butyl ester Formula: C29H44N2O5 MolecularWeight: 500.67006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(C(CC(C)C)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)[C@H]([C@H](CC(C)C)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H44N2O5/c1-8-19(4)25(31-28(35)36-29(5,6)7)27(34)30-23(26(33)24(32)16-18(2)3)17-21-14-11-13-20-12-9-10-15-22(20)21/h9-15,18-19,23-26,32-33H,8,16-17H2,1-7H3,(H,30,34)(H,31,35)/t19?,23-,24-,25-,26+/m0/s1