2-[[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(1,3-thiazol-2-yl)methyl]phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(1,3-thiazol-2-yl)methyl]phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-thiazol-2-yl-methyl]benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(2-thiazolyl)methyl]phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(1,3-thiazol-2-yl)methyl]benzoyl]-methylamino]acetic acid Traditional Name: 2-[[4-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-thiazol-2-yl-methyl]benzoyl]-methyl-amino]acetic acid Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C(=O)N(C)CC(=O)O)C3=NC=CS3)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1[C@@H](C2=CC=C(C=C2)C(=O)N(C)CC(=O)O)C3=NC=CS3)C)CC=C

InChI

InChI=1S/C23H30N4O3S/c1-5-11-26-13-17(3)27(14-16(26)2)21(22-24-10-12-31-22)18-6-8-19(9-7-18)23(30)25(4)15-20(28)29/h5-10,12,16-17,21H,1,11,13-15H2,2-4H3,(H,28,29)/t16-,17+,21+/m1/s1