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A5R

Summary
Name:amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
Formula:C11 H23 N4 O3
Formal charge:1
Formula weight:259.325 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
OpenEye OEToolkits1.7.0[azanyl-[[(4S)-4-azanyl-10-hydroxy-5,10-dioxo-decyl]amino]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])\N
SMILES_CANONICALCACTVS3.370N[C@@H](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O
SMILESCACTVS3.370N[CH](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N
SMILESOpenEye OEToolkits1.7.0C(CCC(=O)O)CC(=O)C(CCCNC(=[NH2+])N)N
InChIInChI1.03InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1
InChIKeyInChI1.03MYCFGDIVKLHPEU-QMMMGPOBSA-O

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건을2024-07-10부터공개중

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