ethyl (4S)-4-[[(2S)-6-azanyl-2-benzamido-hexanoyl]amino]-5-phenyl-pent-2-ynoate

Systemtic Name: ethyl (4S)-4-[[(2S)-6-azanyl-2-benzamido-hexanoyl]amino]-5-phenyl-pent-2-ynoate Openeye Name: ethyl (4S)-4-[[(2S)-6-amino-2-benzamido-hexanoyl]amino]-5-phenyl-pent-2-ynoate CAS Name: (4S)-4-[[(2S)-6-amino-2-benzamido-1-oxohexyl]amino]-5-phenyl-2-pentynoic acid ethyl ester IUPAC Name: ethyl (4S)-4-[[(2S)-6-amino-2-benzamidohexanoyl]amino]-5-phenylpent-2-ynoate Traditional Name: (4S)-4-[[(2S)-6-amino-2-benzamido-hexanoyl]amino]-5-phenyl-pent-2-ynoic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C#C[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H31N3O4/c1-2-33-24(30)17-16-22(19-20-11-5-3-6-12-20)28-26(32)23(15-9-10-18-27)29-25(31)21-13-7-4-8-14-21/h3-8,11-14,22-23H,2,9-10,15,18-19,27H2,1H3,(H,28,32)(H,29,31)/t22-,23+/m1/s1