AZP

(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE

Created: 2005-07-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count89
Chiral Atom Count3
Bond Count90
Aromatic Bond Count12
2D diagram of AZP
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Chemical Component Summary

Name(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE
Systematic Name (OpenEye OEToolkits)ethyl (2S)-4-[(3-amino-3-oxo-propyl)-[[(2S)-2-[[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-oxo-butanoate
FormulaC32 H43 N5 O9
Molecular Weight641.712
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CCC(=O)N
SMILESCACTVS3.341CCOC(=O)[CH](O)CC(=O)N(CCC(N)=O)NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.5.0CCOC(=O)C(CC(=O)N(CCC(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc2ccccc2)O
Canonical SMILESCACTVS3.341 CCOC(=O)[C@@H](O)CC(=O)N(CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O
InChIInChI1.03 InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1
InChIKeyInChI1.03 IKHWYRGVVLWKMO-GSDHBNRESA-N

Related Resource References

Resource NameReference
PubChem 5287723