PRD_000183

Microcin C7

Created:2012-02-03
Last modified:  2023-11-03

PRD_000183 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3H5R.

Chemical Details

Formal Charge0
Atom Count100
Chiral Atom Count7
Bond Count100
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

NameMicrocin C7
Systematic Name (OpenEye OEToolkits)[azanyl-[[(4S)-5-[[(2S,3R)-1-[[2-[[(2S)-4-azanyl-1-[[(2S)-1-[[(3S)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium
FormulaC28 H49 N12 O10 S
Molecular Weight745.828
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1C(=O)NC(=O)C1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)CCSC)CCCNC(=[NH2+])/N)C(O)C)CC(=O)N)C
SMILESCACTVS3.370CSCC[CH](N)C(=O)N[CH](CCCNC(N)=[NH2+])C(=O)N[CH]([CH](C)O)C(=O)NCC(=O)N[CH](CC(N)=O)C(=O)N[CH](C)C(=O)N[CH]1CC(=O)NC1=O
SMILESOpenEye OEToolkits1.7.6CC(C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC1CC(=O)NC1=O)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCSC)N)O
Canonical SMILESCACTVS3.370 CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)NC1=O)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CCSC)N)O
InChIInChI1.03 InChI=1S/C28H48N12O10S/c1-12(22(45)38-17-10-19(43)39-26(17)49)35-25(48)16(9-18(30)42)36-20(44)11-34-27(50)21(13(2)41)40-24(47)15(5-4-7-33-28(31)32)37-23(46)14(29)6-8-51-3/h12-17,21,41H,4-11,29H2,1-3H3,(H2,30,42)(H,34,50)(H,35,48)(H,36,44)(H,37,46)(H,38,45)(H,40,47)(H4,31,32,33)(H,39,43,49)/p+1/t12-,13-,14+,15+,16+,17-,21-/m1/s1
InChIKeyInChI1.03 KPKKQARZOGEEIH-CCGXNSOESA-O