IUPAC Name
3-[1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-2-hydroxy-3-[(1S,14R,18S,20S,23S,28S,31S,34R)-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]propanamide
Synonyms
Coumarin-bicyclic(Ala-DThr-Cys-cis-4-hydroxy-Pro-Ala-2-mercapto-Trp-4-hydroxy-5-amino-Leu)(S-3→6); Cyclo(-Ala-D-Thr-Cys-cis-Hyp-Ala-Trp-(4R)-4-hydroxy-4-Me-Orn(3-(3-(N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)succinimido)sulfanyl)propanoyl)) (Sulfide bond between Cys and indol-2-yl); Phalloidin, 7-[(4R)-N5-[3-[[1-[4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]-1-oxopropyl]-4-hydroxy-4-methyl-L-ornithine]-
Appearance
Yellow Lyophilized Powder
Density
1.49±0.1 g/cm3 (Predicted)
Solubility
Soluble in Water
InChI
InChI=1S/C62H75N11O15S2/c1-8-71(9-2)36-18-19-38-30(3)50(61(86)88-46(38)22-36)34-14-16-35(17-15-34)73-49(77)25-47(60(73)85)89-21-20-48(76)63-29-62(7,87)26-43-55(81)64-32(5)53(79)70-51(33(6)74)57(83)68-44-28-90-58-40(39-12-10-11-13-41(39)69-58)24-42(54(80)67-43)66-52(78)31(4)65-56(82)45-23-37(75)27-72(45)59(44)84/h10-19,22,31-33,37,42-45,47,51,69,74-75,87H,8-9,20-21,23-29H2,1-7H3,(H,63,76)(H,64,81)(H,65,82)(H,66,78)(H,67,80)(H,68,83)(H,70,79)/t31-,32-,33-,37-,42-,43-,44-,45-,47?,51+,62+/m0/s1
InChI Key
GNSRKMXDGGXWDM-AZPABDIKSA-N
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N4C(=O)CC(C4=O)SCCC(=O)NCC(C)(CC5C(=O)NC(C(=O)NC(C(=O)NC6CSC7=C(CC(C(=O)N5)NC(=O)C(NC(=O)C8CC(CN8C6=O)O)C)C9=CC=CC=C9N7)C(C)O)C)O)C
