N-[N2-(1(S)-carboxy-3-phenylpropyl)-N6-(N-tert-butoxycarbonylglycyl)-L-lysyl]-L-proline

HCID 70535503
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCC(=O)NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIKey
YQVSBRWQDJOAFK-FKBYEOEOSA-N
Molecular formula
C28H42N4O8
Average molar mass
562.7 g/mol

Names & identifiers

Preferred name
N-[N2-(1(S)-carboxy-3-phenylpropyl)-N6-(N-tert-butoxycarbonylglycyl)-L-lysyl]-L-proline
IUPAC
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Names & synonyms

SCHEMBL11199526YQVSBRWQDJOAFK-FKBYEOEOSA-NN-[N2 -(1(S)-carboxy-3-phenylpropyl)-N6 -(N-tert-butoxycarbonylglycyl)-L-lysyl]-L-proline

Database identifiers

PubChem CID
70535503

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
174 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
17
Heavy atoms
40

Related reactions

1 records
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Compound notes

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