5-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 5-[[[(5-chloro-1,3-benzoxazol-2-yl)amino]-oxomethyl]amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid IUPAC Name: 5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C30H43ClN4O7 MolecularWeight: 607.13802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(O2)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(O2)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C30H43ClN4O7/c31-22-18-19-25-24(21-22)33-30(42-25)35-29(41)32-23(15-14-17-27(38)39)28(40)34-26(37)16-12-10-8-6-4-2-1-3-5-7-9-11-13-20-36/h18-21,23H,1-17H2,(H,38,39)(H,34,37,40)(H2,32,33,35,41)