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M80

Summary
Name:3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID
Formula:C26 H26 N2 O5
Formal charge:0
Formula weight:446.495 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)phenyl]propanoic acid
OpenEye OEToolkits1.6.13-[4-[[(2S)-3-phenyl-2-phenylmethoxycarbonylamino-propanoyl]amino]phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCc1ccc(cc1)NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3
SMILES_CANONICALCACTVS3.352OC(=O)CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1
SMILESCACTVS3.352OC(=O)CCc1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3
InChIInChI1.03InChI=1S/C26H26N2O5/c29-24(30)16-13-19-11-14-22(15-12-19)27-25(31)23(17-20-7-3-1-4-8-20)28-26(32)33-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1
InChIKeyInChI1.03UUUSYJRIAPGCQL-QHCPKHFHSA-N

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PDB entries from 2024-07-10

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