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Substance Name: Syringomycin A1
RN: 124629-88-5
InChIKey: VFXHWENMNWQOTJ-MXPVUDIXSA-N

Molecular Formula

  • C51-H81-Cl-N14-O17

Molecular Weight

  • 1197.7349
 
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Names and Synonyms

Results Name

  • Syringomycin A1

Synonym

  • Syringomycin A1

Systematic Name

  • L-Threonine, N-(3-hydroxy-1-oxodecyl)-L-seryl-D-seryl-L-2,4-diaminobutanoyl-D-2,4-diaminobutanoyl-L-arginyl-L-phenylalanyl-(Z)-2,3-didehydro-2-aminobutanoyl-threo-3-hydroxy-L-alpha-aspartyl-4-chloro-, beta1-lactone, (R)-

Registry Numbers

CAS Registry Number

  • 124629-88-5

System Generated Number

  • 0124629885

Structure Descriptors

InChI

1S/C51H81ClN14O17/c1-3-5-6-7-11-15-28(68)23-37(70)58-35-26-83-50(82)38(36(69)24-52)65-48(79)39(40(71)49(80)81)66-41(72)29(4-2)59-45(76)33(22-27-13-9-8-10-14-27)63-42(73)30(16-12-21-57-51(55)56)60-43(74)31(17-19-53)61-44(75)32(18-20-54)62-46(77)34(25-67)64-47(35)78/h4,8-10,13-14,28,30-36,38-40,67-69,71H,3,5-7,11-12,15-26,53-54H2,1-2H3,(H,58,70)(H,59,76)(H,60,74)(H,61,75)(H,62,77)(H,63,73)(H,64,78)(H,65,79)(H,66,72)(H,80,81)(H4,55,56,57)/b29-4-/t28-,30+,31-,32-,33+,34-,35+,36-,38+,39+,40+/m1/s1

InChIKey

VFXHWENMNWQOTJ-MXPVUDIXSA-N

Smiles

CCCCCCC[C@@H](O)CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(=C\C)\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CO)NC1=O)[C@H](O)C(=O)O)[C@H](O)CCl