6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[[(5-chloro-1,3-benzoxazol-2-yl)amino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-keto-hexanoic acid Formula: C30H45ClN4O7 MolecularWeight: 609.1539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C30H45ClN4O7/c1-2-3-4-5-6-7-8-9-10-11-12-14-22(20-26(32)36)41-28(39)23(15-13-16-27(37)38)33-29(40)35-30-34-24-19-21(31)17-18-25(24)42-30/h17-19,22-23H,2-16,20H2,1H3,(H2,32,36)(H,37,38)(H2,33,34,35,40)