(phenylmethyl) N-[4-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl-phenethyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[[(2S,3S)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl-phenethyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-3-[[(1S,2S)-1-formyl-2-methyl-butyl]carbamoyl-phenethyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[3-hydroxy-4-[[[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-phenethylamino]-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-hydroxy-4-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamoyl-phenethylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[[(1S,2S)-1-formyl-2-methyl-butyl]carbamoyl-phenethyl-amino]-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C33H41N3O5 MolecularWeight: 559.69574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)NC(=O)N(CCC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC[C@H](C)[C@@H](C=O)NC(=O)N(CCC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C33H41N3O5/c1-3-25(2)30(23-37)34-32(39)36(20-19-26-13-7-4-8-14-26)22-31(38)29(21-27-15-9-5-10-16-27)35-33(40)41-24-28-17-11-6-12-18-28/h4-18,23,25,29-31,38H,3,19-22,24H2,1-2H3,(H,34,39)(H,35,40)/t25-,29?,30+,31?/m0/s1