4-oxidanylidene-3-[[6-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]pentanoic acid

Systemtic Name: 4-oxidanylidene-3-[[6-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]pentanoic acid Openeye Name: 4-oxo-3-[[6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-(2-thienyl)hexanoyl]amino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-6-[[oxo-[4-(2-quinoxalinylamino)phenyl]methyl]amino]-2-thiophen-2-ylhexyl]amino]pentanoic acid IUPAC Name: 4-oxo-3-[[6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-thiophen-2-ylhexanoyl]amino]pentanoic acid Traditional Name: 4-keto-3-[[6-[[4-(quinoxalin-2-ylamino)benzoyl]amino]-2-(2-thienyl)hexanoyl]amino]valeric acid Formula: C30H31N5O5S MolecularWeight: 573.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2)C4=CC=CS4

Isomeric SMILES

CC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2)C4=CC=CS4

InChI

InChI=1S/C30H31N5O5S/c1-19(36)25(17-28(37)38)35-30(40)22(26-10-6-16-41-26)7-4-5-15-31-29(39)20-11-13-21(14-12-20)33-27-18-32-23-8-2-3-9-24(23)34-27/h2-3,6,8-14,16,18,22,25H,4-5,7,15,17H2,1H3,(H,31,39)(H,33,34)(H,35,40)(H,37,38)