(phenylmethyl) N-[6-azanyl-1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-heptan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-azanyl-1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-heptan-2-yl]carbamate Openeye Name: benzyl N-[5-amino-1-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylcarbamoyl]hexyl]carbamate CAS Name: N-[6-amino-1-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-1-oxoheptan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-amino-1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-1-oxoheptan-2-yl]carbamate Traditional Name: N-[5-amino-1-[1-[2-(2-furfurylthio)acetyl]pentylcarbamoyl]hexyl]carbamic acid benzyl ester Formula: C27H39N3O5S MolecularWeight: 517.68066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CCCC(C)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CCCC(C)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H39N3O5S/c1-3-4-14-23(25(31)19-36-18-22-13-9-16-34-22)29-26(32)24(15-8-10-20(2)28)30-27(33)35-17-21-11-6-5-7-12-21/h5-7,9,11-13,16,20,23-24H,3-4,8,10,14-15,17-19,28H2,1-2H3,(H,29,32)(H,30,33)