aluminum (2S)-2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: aluminum (2S)-2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: aluminum (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: aluminum (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: aluminum (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: aluminum (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionate Formula: C54H42AlCl3N6O9 MolecularWeight: 1052.286618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl.[Al+3]

InChI

InChI=1S/3C18H15ClN2O3.Al/c3*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h3*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;;+3/p-3/t3*16-;/m000./s1