benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate

HCID 319264

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Basic information

CAS: 56411-59-7
Standard SMILES: CC1NC(=O)C(NC(=O)OCc2ccccc2)COC(=O)C(C(C)C)NC(=O)CCCCNC1=O
InChIKey: GCQGHIATCQFKJE-UHFFFAOYSA-N
Molecular formula: C24H34N4O7
Average molar mass: 490.5 g/mol
Monoisotopic mass: 490.24274944

Names & identifiers

Preferred name: benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate
IUPAC: benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate

Names & synonyms

NSC26214156411-59-7benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamateDTXSID00312776NSC-262141Benzyl [12-methyl-2,5,11,14-tetraoxo-3-(propan-2-yl)-1-oxa-4,10,13-triazacyclohexadecan-15-yl]carbamateBenzyl L,L,L-(3-isopropyl-12-methyl-2,5,11,14-tetraoxo-1-oxa-4,10,13-triazacyclohexadecan-15-yl)carbamatebenzyl N-(3-isopropyl-12-methyl-2,5,11,14-tetraoxo-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate

Database identifiers

CAS: 56411-59-7
PubChem CID: 319264
DTXSID: DTXSID00312776

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 152 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 35
Formal charge: 0
Complexity: 752

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