DMY

DISTAMYCIN A

Created:1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count0
Bond Count64
Aromatic Bond Count15
2D diagram of DMY

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Chemical Component Summary

NameDISTAMYCIN A
SynonymsDISTAMYCIN; STALLIMYCIN
Systematic Name (OpenEye OEToolkits)N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide
FormulaC22 H27 N9 O4
Molecular Weight481.508
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cc(C(=O)NCCC(=[N@H])N)n(c1)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C
SMILESCACTVS3.341Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N
SMILESOpenEye OEToolkits1.5.0Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O
Canonical SMILESCACTVS3.341 Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N
Canonical SMILESOpenEye OEToolkits1.5.0 Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O
InChIInChI1.03 InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
InChIKeyInChI1.03 UPBAOYRENQEPJO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL11252
PubChem 3115
ChEMBL CHEMBL11252