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V7D

Summary
Name:2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid
Formula:C16 H24 N3 O7 P
Formal charge:0
Formula weight:401.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid
OpenEye OEToolkits2.0.72,2-bis(azanyl)-4-[[1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxy-phenoxy-phosphanyl]butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O
InChIInChI1.03InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1
InChIKeyInChI1.03TVQHRKKZDSLIPL-JWNZJDHWSA-N
SMILES_CANONICALCACTVS3.385CC[C@H](O[P@@](CCC(N)(N)C(O)=O)Oc1ccccc1)C(=O)NCC(O)=O
SMILESCACTVS3.385CC[CH](O[P](CCC(N)(N)C(O)=O)Oc1ccccc1)C(=O)NCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1
SMILESOpenEye OEToolkits2.0.7CCC(C(=O)NCC(=O)O)OP(CCC(C(=O)O)(N)N)Oc1ccccc1

217705

PDB entries from 2024-03-27

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