0GJ

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Summary

Name:L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide
Formula:C14 H28 Cl N6 O5
Formal charge:1
Molecular weight:395.862 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01L-alpha-glutamyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]glycinamide
OpenEye OEToolkits1.7.0[azanyl-[[(4S,5S)-4-[2-[[(2S)-2-azanyl-5-hydroxy-5-oxo-pentanoyl]amino]ethanoylamino]-6-chloro-5-hydroxy-hexyl]amino]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(CCCNC(=[NH2+])\N)C(O)CCl)CNC(=O)C(N)CCC(=O)O
SMILES_CANONICALCACTVS3.370N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)CCl
SMILESCACTVS3.370N[CH](CCC(O)=O)C(=O)NCC(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl
SMILES_CANONICALOpenEye OEToolkits1.7.0C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N
SMILESOpenEye OEToolkits1.7.0C(CC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)N)CNC(=[NH2+])N
InChIInChI1.03InChI=1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1
InChIKeyInChI1.03XELWNHKFCNMWQO-LPEHRKFASA-O