tert-butyl N-[[(3S)-3-[[(2S)-4-azanyl-2-benzamido-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate

Systemtic Name: tert-butyl N-[[(3S)-3-[[(2S)-4-azanyl-2-benzamido-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate Openeye Name: tert-butyl N-[[(3S)-3-[[(2S)-4-amino-2-benzamido-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamate CAS Name: N-[[(3S)-3-[[(2S)-4-amino-2-benzamido-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(3S)-3-[[(2S)-4-amino-2-benzamido-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamate Traditional Name: N-[[(3S)-3-[[(2S)-4-amino-2-benzamido-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamic acid tert-butyl ester Formula: C29H41N5O6 MolecularWeight: 555.66574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)C2=CC=CC=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N5O6/c1-19(2)34(33-28(39)40-29(3,4)5)18-24(35)22(16-20-12-8-6-9-13-20)31-27(38)23(17-25(30)36)32-26(37)21-14-10-7-11-15-21/h6-15,19,22-24,35H,16-18H2,1-5H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)/t22-,23-,24?/m0/s1