(phenylmethyl) N-[(2S)-1-oxidanylidene-6-(2-pyridin-4-ylsulfanylethanoylamino)-1-(quinolin-8-ylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-6-(2-pyridin-4-ylsulfanylethanoylamino)-1-(quinolin-8-ylamino)hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[[2-(4-pyridylsulfanyl)acetyl]amino]-1-(8-quinolylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-oxo-6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]-1-(8-quinolinylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-6-[(2-pyridin-4-ylsulfanylacetyl)amino]-1-(quinolin-8-ylamino)hexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[[2-(4-pyridylthio)acetyl]amino]-1-(8-quinolylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)CSC2=CC=NC=C2)C(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CSC2=CC=NC=C2)C(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C30H31N5O4S/c36-27(21-40-24-14-18-31-19-15-24)32-16-5-4-12-26(35-30(38)39-20-22-8-2-1-3-9-22)29(37)34-25-13-6-10-23-11-7-17-33-28(23)25/h1-3,6-11,13-15,17-19,26H,4-5,12,16,20-21H2,(H,32,36)(H,34,37)(H,35,38)/t26-/m0/s1