(2R,3R,4S)-N-(2-((4-Chlorophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide

Substructure search Find similar structures

Basic information

CAS: 161277-29-8
Standard SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
InChIKey: NGDKIABSGYOZAO-NREVGYPESA-N
Molecular formula: C43H52ClN5O6
Average molar mass: 770.4 g/mol
Monoisotopic mass: 769.3606121

Names & identifiers

Preferred name: (2R,3R,4S)-N-(2-((4-Chlorophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
IUPAC: benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-chlorophenyl)methylamino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Names & synonyms

161277-29-8(2R,3R,4S)-N-(2-((4-Chlorophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID10167097RefChem:206739DTXCID3089588Statine deriv. 17BDBM937CHEMBL104512(2R,3R,4S)-N-[2-[(4-Chlorophenyl)methylamino]-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-4-{[(4-chlorophenyl)methyl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-3-[(4-chlorophenyl)methylamino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-4-{[(4-chlorophenyl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

Database identifiers

CAS: 161277-29-8
PubChem CID: 460208

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 158 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 20
Heavy atoms: 55
Formal charge: 0
Complexity: 1,160

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…