tert-butyl N-[3-azanyl-4-oxidanylidene-5,7-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]heptyl]carbamate

Systemtic Name: tert-butyl N-[3-azanyl-4-oxidanylidene-5,7-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]heptyl]carbamate Openeye Name: tert-butyl N-[3-amino-4-oxo-5,7-bis[(3-oxo-3-phenyl-propanethioyl)amino]heptyl]carbamate CAS Name: N-[3-amino-4-oxo-5,7-bis[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]heptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-amino-4-oxo-5,7-bis[(3-oxo-3-phenylpropanethioyl)amino]heptyl]carbamate Traditional Name: N-[3-amino-4-keto-5,7-bis[(3-keto-3-phenyl-propanethioyl)amino]heptyl]carbamic acid tert-butyl ester Formula: C30H38N4O5S2 MolecularWeight: 598.77652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(C(=O)C(CCNC(=S)CC(=O)C1=CC=CC=C1)NC(=S)CC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(C(=O)C(CCNC(=S)CC(=O)C1=CC=CC=C1)NC(=S)CC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C30H38N4O5S2/c1-30(2,3)39-29(38)33-16-14-22(31)28(37)23(34-27(41)19-25(36)21-12-8-5-9-13-21)15-17-32-26(40)18-24(35)20-10-6-4-7-11-20/h4-13,22-23H,14-19,31H2,1-3H3,(H,32,40)(H,33,38)(H,34,41)