Polymyxin D1
CAS Registry Number®
10072-50-1
CAS Name
Polymyxin D1Molecular Formula
C50H93N15O15Molecular Mass
1144.36Cite this Page
Polymyxin D1. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10072-50-1 (retrieved ) (CAS RN: 10072-50-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C50H93N15O15/c1-8-26(4)11-9-10-12-37(70)56-30(13-18-51)44(74)64-40(29(7)69)50(80)62-36(24-66)47(77)59-34-17-22-55-48(78)38(27(5)67)63-45(75)33(16-21-54)58-41(71)32(15-20-53)60-49(79)39(28(6)68)65-46(76)35(23-25(2)3)61-42(72)31(14-19-52)57-43(34)73/h25-36,38-40,66-69H,8-24,51-54H2,1-7H3,(H,55,78)(H,56,70)(H,57,73)(H,58,71)(H,59,77)(H,60,79)(H,61,72)(H,62,80)(H,63,75)(H,64,74)(H,65,76)
InChIKey
InChIKey=ZVVRUVGEGUZQHF-UHFFFAOYSA-N
SMILES
N(C(C(NC(C(NC(C(NC(CCCCC(CC)C)=O)CCN)=O)C(C)O)=O)CO)=O)C1C(=O)NC(CCN)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NCC1
Canonical SMILES
O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1)C(O)C)CCN)CCN)C(O)C)CC(C)C)CCN)CO)C(O)C)CCN)CCCCC(C)CC
Other Names for this Substance
- L-Threonine, (2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-, (10→4)-lactam
- Polymyxin D1
- Octanamide, N-[3-amino-1-[[2-hydroxy-1-[[2-hydroxy-1-[[2,11,14-tris(2-aminoethyl)-8,17-bis(1-hydroxyethyl)-5-isobutyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricos-22-yl]carbamoyl]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-
- 1,4,7,10,13,16,19-Heptaazacyclotricosane, cyclic peptide deriv.
- N2-(6-Methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-D-seryl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine cyclic (10→4)-peptide
