Surfactin

Category	Herpes simplex Virus (HSV)
CAS	252023-70-4

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Product Information

Synonyms	Surfactin;surfactin C;24730-31-2;252023-70-4;3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid;CHEBI:71978;3-((3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl)propanoic acid;3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid;Leu7-Surfactin;iso-C15-Surfactin;E6T3DJ8ZVE;CHEMBL508272;SCHEMBL1434743;DTXSID20893274;NJGWOFRZMQRKHT-WGVNQGGSSA-N;BDBM50378583;Cyclo(L-a-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-a-glutamyl-L-leucyl-D-leucyl-L-valyl);NS00094931;Q3132229;Surfactin, from Bacillus subtilis, >=98.0% (HPLC);1393353-89-3;3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetraisobutyl-12-isopropyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid;Cyclo[L-alpha-aspartyl-D-leucyl-L-leucyl-(3R)-3-hydroxy-13-methyltetradecanoyl-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl];Leucine, N-[N-[N-[N-[N-[N-[N-(3-hydroxy-13-methyltetradecanoyl)-L-alpha-glutamyl]-L-leucyl]-D-leucyl]-L-valyl]-L-alpha-aspartyl]-D-leucyl]-, psi-lactone, L-;
IUPAC Name	3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
Molecular Weight	971.9
Molecular Formula	C37H56F3N9O18
Canonical SMILES	C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O.C(=O)(C(F)(F)F)O
InChI	InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1
InChIKey	NJGWOFRZMQRKHT-WGVNQGGSSA-N
Appearance	Solid