N1-[(2S,3R)-3-azanyl-4-[(3-methoxyphenyl)methylamino]-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3R)-3-azanyl-4-[(3-methoxyphenyl)methylamino]-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-2-amino-1-benzyl-3-[(3-methoxyphenyl)methylamino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-amino-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-amino-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-2-amino-1-benzyl-3-(m-anisylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C32H42N4O3/c1-4-17-36(18-5-2)32(38)27-15-10-14-26(21-27)31(37)35-30(20-24-11-7-6-8-12-24)29(33)23-34-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,34H,4-5,17-18,20,22-23,33H2,1-3H3,(H,35,37)/t29-,30+/m1/s1