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MY4

Summary
Name:(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
Formula:C14 H19 N3 O5
Formal charge:0
Formula weight:309.318 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid
OpenEye OEToolkits1.5.02-[amino-[(3S)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CN(N)C(=O)CC(O)C(=O)NCCc1ccccc1
SMILES_CANONICALCACTVS3.341NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1ccccc1
SMILESCACTVS3.341NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O
InChIInChI1.03InChI=1S/C14H19N3O5/c15-17(9-13(20)21)12(19)8-11(18)14(22)16-7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2,(H,16,22)(H,20,21)/t11-/m0/s1
InChIKeyInChI1.03FAEIAIPIEHOWKC-NSHDSACASA-N

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PDB entries from 2024-08-07

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