(2S,3S)-2-(aminocarbonylamino)-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-methyl-pentanamide Openeye Name: (2S,3S)-N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide Traditional Name: (2S,3S)-N-(4-benzoxy-3-methoxy-benzyl)-3-methyl-2-ureido-valeramide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC(=O)N

InChI

InChI=1S/C22H29N3O4/c1-4-15(2)20(25-22(23)27)21(26)24-13-17-10-11-18(19(12-17)28-3)29-14-16-8-6-5-7-9-16/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,26)(H3,23,25,27)/t15-,20-/m0/s1