2-[bis[2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-ethyl-amino]-3-phenylmethoxy-propyl]amino]ethanoic acid

Systemtic Name: 2-[bis[2-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)-ethyl-amino]-3-phenylmethoxy-propyl]amino]ethanoic acid Openeye Name: 2-[bis[2-[(2-amino-1,1-dimethyl-2-oxo-ethyl)-ethyl-amino]-3-benzyloxy-propyl]amino]acetic acid CAS Name: 2-[bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)-ethylamino]-3-phenylmethoxypropyl]amino]acetic acid IUPAC Name: 2-[bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)-ethylamino]-3-phenylmethoxypropyl]amino]acetic acid Traditional Name: 2-[bis[2-[(2-amino-2-keto-1,1-dimethyl-ethyl)-ethyl-amino]-3-benzoxy-propyl]amino]acetic acid Formula: C34H53N5O6 MolecularWeight: 627.81452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CN(CC(COCC1=CC=CC=C1)N(CC)C(C)(C)C(=O)N)CC(=O)O)COCC2=CC=CC=C2)C(C)(C)C(=O)N

Isomeric SMILES

CCN(C(CN(CC(COCC1=CC=CC=C1)N(CC)C(C)(C)C(=O)N)CC(=O)O)COCC2=CC=CC=C2)C(C)(C)C(=O)N

InChI

InChI=1S/C34H53N5O6/c1-7-38(33(3,4)31(35)42)28(24-44-22-26-15-11-9-12-16-26)19-37(21-30(40)41)20-29(39(8-2)34(5,6)32(36)43)25-45-23-27-17-13-10-14-18-27/h9-18,28-29H,7-8,19-25H2,1-6H3,(H2,35,42)(H2,36,43)(H,40,41)