(3S)-3-azanyl-4-[4-[(6-methoxy-4-methyl-quinolin-8-yl)amino]pentylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[4-[(6-methoxy-4-methyl-quinolin-8-yl)amino]pentylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[4-[(6-methoxy-4-methyl-8-quinolyl)amino]pentylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[4-[(6-methoxy-4-methyl-8-quinolinyl)amino]pentylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[4-[(6-methoxy-4-methylquinolin-8-yl)amino]pentylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[4-[(6-methoxy-4-methyl-8-quinolyl)amino]pentylamino]butyric acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCNC(=O)C(CC(=O)O)N)OC

Isomeric SMILES

CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCNC(=O)[C@H](CC(=O)O)N)OC

InChI

InChI=1S/C20H28N4O4/c1-12-6-8-22-19-15(12)9-14(28-3)10-17(19)24-13(2)5-4-7-23-20(27)16(21)11-18(25)26/h6,8-10,13,16,24H,4-5,7,11,21H2,1-3H3,(H,23,27)(H,25,26)/t13?,16-/m0/s1