5-(hexanoylamino)-3-[2-[3-(naphthalen-2-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]butanoylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(hexanoylamino)-3-[2-[3-(naphthalen-2-ylcarbonylamino)-2-oxidanylidene-pyridin-1-yl]butanoylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-(hexanoylamino)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxo-1-pyridyl]butanoylamino]-4-oxo-pentanoic acid CAS Name: 3-[[2-[3-[[2-naphthalenyl(oxo)methyl]amino]-2-oxo-1-pyridinyl]-1-oxobutyl]amino]-4-oxo-5-(1-oxohexylamino)pentanoic acid IUPAC Name: 5-(hexanoylamino)-3-[2-[3-(naphthalene-2-carbonylamino)-2-oxopyridin-1-yl]butanoylamino]-4-oxopentanoic acid Traditional Name: 5-(caproylamino)-4-keto-3-[2-[2-keto-3-(2-naphthoylamino)-1-pyridyl]butanoylamino]valeric acid Formula: C31H36N4O7 MolecularWeight: 576.64014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCC(=O)C(CC(=O)O)NC(=O)C(CC)N1C=CC=C(C1=O)NC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCC(=O)NCC(=O)C(CC(=O)O)NC(=O)C(CC)N1C=CC=C(C1=O)NC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C31H36N4O7/c1-3-5-6-13-27(37)32-19-26(36)24(18-28(38)39)34-30(41)25(4-2)35-16-9-12-23(31(35)42)33-29(40)22-15-14-20-10-7-8-11-21(20)17-22/h7-12,14-17,24-25H,3-6,13,18-19H2,1-2H3,(H,32,37)(H,33,40)(H,34,41)(H,38,39)