Bis(phenylmethyl) 1,16-diphenyl-2,6,11,15-tetraazahexadecanoate

HCID 391189

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Basic information

CAS: 203578-50-1
Standard SMILES: O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1
InChIKey: XJHNORLJONUTKI-UHFFFAOYSA-N
Molecular formula: C40H50N4O4
Average molar mass: 650.8 g/mol
Monoisotopic mass: 650.38320609

Names & identifiers

Preferred name: Bis(phenylmethyl) 1,16-diphenyl-2,6,11,15-tetraazahexadecanoate
IUPAC: benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate

Names & synonyms

203578-50-1B46YJS9R0UNSC 690023MLS002702397UNII-B46YJS9R0UBis(phenylmethyl) 1,16-diphenyl-2,6,11,15-tetraazahexadecanoateNSC690023NSC-690023SMR001565959Carbamic acid, 1,4-butanediylbis((3-((phenylmethyl)amino)propyl)-, phenylmethyl phenylmethyl esterCarbamic acid, 1,4-butanediylbis[[3-[(phenylmethyl)amino]propyl]-, phenylmethyl phenylmethyl esterdibenzyl butane-1,4-diylbis{[3-(benzylamino)propyl]carbamate}

Show more names

Neuro_000448cid_391189CHEMBL1698492BDBM80084DTXSID00174270benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamateNCI60_032353N,N'-dibenzyloxycarbonyl-1,4-butanediamine

Database identifiers

CAS: 203578-50-1
PubChem CID: 391189
DTXSID: DTXSID00174270
ChEMBL: CHEMBL1698492
UNII: B46YJS9R0U

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 23
Heavy atoms: 48
Formal charge: 0
Complexity: 767

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