PRD_000278

DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE

Created: 2012-04-30
Last modified:  2023-09-20

PRD_000278 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1P8J.

Chemical Details

Formal Charge0
Atom Count122
Chiral Atom Count4
Bond Count121
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

NameDECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE
Systematic Name (OpenEye OEToolkits)[[[(4S)-5-[[(2S)-1-[[(2S)-6-azaniumyl-1-[[(3S)-6-[[azaniumylidene(azanyl)methyl]amino]-1-chloranyl-2-oxidanyl-hexan-3-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-(decanoylamino)-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium
FormulaC34 H71 Cl N11 O5
Molecular Weight749.451
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(NC(CCCNC(=[NH2+])/N)C(O)CCl)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCC)CCCNC(=[NH2+])\N)C(C)C)CCCC[NH3+]
SMILESCACTVS3.370CCCCCCCCCC(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH](C(C)C)C(=O)N[CH](CCCC[NH3+])C(=O)N[CH](CCCNC(N)=[NH2+])[CH](O)CCl
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCC(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O
Canonical SMILESCACTVS3.370 CCCCCCCCCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])[C@H](O)CCl
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCCCCCCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O
InChIInChI1.03 InChI=1S/C34H68ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-27,29,47H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/p+3
InChIKeyInChI1.03 VMJXEZLKQCJWKK-UHFFFAOYSA-Q