FRN
Molecular Formula:
C60H80N13O18+
InChI: InChI=1/C60H79N13O18/c1-29(2)21-37-51(79)64-36-17-10-11-19-62-45(75)24-42(60(88)89)70-54(82)39-25-46(76)90-28-43(71-56(84)44-18-12-20-73(44)59(87)41(69-50(36)78)22-32-13-6-5-7-14-32)55(83)67-40(26-47(77)91-31(4)49(58(86)68-37)72-57(85)48(61)30(3)74)53(81)65-38(52(80)66-39)23-33-27-63-35-16-9-8-15-34(33)35/h5-9,13-16,27,29-31,36-44,48-49,63,74H,10-12,17-26,28,61H2,1-4H3,(H,62,75)(H,64,79)(H,65,81)(H,66,80)(H,67,83)(H,68,86)(H,69,78)(H,70,82)(H,71,84)(H,72,85)(H,88,89)/p+1/t30-,31-,36+,37+,38+,39+,40+,41+,42+,43+,44+,48+,49+/m1/s1/fC60H80N13O18/h61-62,64-72,88H/q+1
InChIKey: InChIKey=IGCVJULNJMQDMD-JYYSAVIVDK
SMILES: CC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CC(NC(=O)C3CC(=O)OCC(C(=O)NC(CC(=O)O1)C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54)NC(=O)C6CCCN6C(=O)C(NC2=O)CC7=CC=CC=C7)C(=O)O)CC(C)C)NC(=O)C(C(C)O)[NH3+]
Names:
FRN
24-(2-AMINO-3-HYDROXYBUTANOYLAMINO)-32-(INDOL-2-YLMETHYL)-25-METHYL-21-(2-METHYLPROPYL)-3,8,14,17,20,23,27,30,33,35,39, 45-DODECAOXO-15-BENZYL-4,26-DIOXA-7,13,16,19,22,31,34,36,40,46-DECAAZATETRACYCLO[16.16.10.2<6,29>.0<9,13>]HEXATETRACONTANE-37-CARBOXYLIC ACID
Registries:
PubChem CID 6857715
PubChem ID 11534247
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