Mycobacillin
CAS Registry Number®
CAS Name
MycobacillinMolecular Formula
C65H85N13O30Molecular Mass
1528.44Cite this Page
Mycobacillin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18524-67-9 (retrieved ) (CAS RN: 18524-67-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C65H85N13O30/c1-28(2)19-36-55(96)69-34(64(105)106)15-17-47(83)68-39(22-48(84)85)54(95)66-29(3)53(94)76-43(26-52(92)93)63(104)78-18-4-5-45(78)62(103)75-42(25-51(90)91)58(99)70-35(65(107)108)14-16-46(82)67-37(20-30-6-10-32(80)11-7-30)56(97)73-40(23-49(86)87)60(101)72-38(21-31-8-12-33(81)13-9-31)57(98)77-44(27-79)61(102)74-41(24-50(88)89)59(100)71-36/h6-13,28-29,34-45,79-81H,4-5,14-27H2,1-3H3,(H,66,95)(H,67,82)(H,68,83)(H,69,96)(H,70,99)(H,71,100)(H,72,101)(H,73,97)(H,74,102)(H,75,103)(H,76,94)(H,77,98)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,105,106)(H,107,108)
InChIKey
InChIKey=MGMBOQJARKXIAL-UHFFFAOYSA-N
SMILES
O=C1C2N(C(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(=O)CCC(C(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CC3=CC=C(O)C=C3)NC(=O)C(CC(O)=O)NC(=O)C(CC4=CC=C(O)C=C4)NC(=O)CCC(C(O)=O)NC(=O)C(CC(O)=O)N1)CCC2
Canonical SMILES
O=C(O)CC1NC(=O)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC1=O)C)CC(=O)O)CCC2)CC(=O)O)C(=O)O)CC3=CC=C(O)C=C3)CC(=O)O)CC4=CC=C(O)C=C4)CO)CC(=O)O)CC(C)C)C(=O)O
Other Names for this Substance
- Mycobacillin
- 1H-Pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28,31,34,37]tridecaazacyclononatriacontine, cyclic peptide deriv.
- Cyclo(L-alanyl-D-α-aspartyl-L-prolyl-D-α-aspartyl-D-γ-glutamyl-L-tyrosyl-L-α-aspartyl-L-tyrosyl-L-seryl-D-α-aspartyl-L-leucyl-D-γ-glutamyl-D-α-aspartyl)
Deleted or Replaced CAS Registry Numbers
23714-41-2, 33187-08-5
