(3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[3-(1,3-benzodioxol-5-yl)butylamino]-4-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CCN[C@@H](CC(=O)O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H30N2O7/c1-16(18-8-9-21-22(13-18)34-15-33-21)10-11-26-19(14-23(28)29)24(30)27-20(25(31)32-2)12-17-6-4-3-5-7-17/h3-9,13,16,19-20,26H,10-12,14-15H2,1-2H3,(H,27,30)(H,28,29)/t16?,19-,20+/m0/s1