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Obsolete: BCC

Summary
Name:(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid
Formula:C16 H20 N2 O3
Formal charge:0
Formula weight:288.342 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid
OpenEye OEToolkits1.7.6(3S,6S,8aR)-6-azanyl-5-oxidanylidene-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C2N1C(=O)C(N)(CCC1CC2)Cc3ccccc3
InChIInChI1.03InChI=1S/C16H20N2O3/c17-16(10-11-4-2-1-3-5-11)9-8-12-6-7-13(14(19)20)18(12)15(16)21/h1-5,12-13H,6-10,17H2,(H,19,20)/t12-,13+,16+/m1/s1
InChIKeyInChI1.03CPHJQEQVQOMCAQ-WWGRRREGSA-N
SMILES_CANONICALCACTVS3.385N[C@@]1(CC[C@H]2CC[C@H](N2C1=O)C(O)=O)Cc3ccccc3
SMILESCACTVS3.385N[C]1(CC[CH]2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC2(CCC3CCC(N3C2=O)C(=O)O)N

223532

건을2024-08-07부터공개중

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