AMANIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H53N9O14S
Molecular Weight	903.955
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)[S@+]([O-])C[C@@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2

InChI

InChIKey=QCZXQEYEVLCQHL-HGJJDEFOSA-N

InChI=1S/C39H53N9O14S/c1-4-17(2)31-36(59)41-12-28(52)42-25-16-63(62)38-21(20-7-5-6-8-22(20)45-38)10-23(33(56)40-13-29(53)46-31)43-37(60)32(18(3)27(51)15-49)47-35(58)26-9-19(50)14-48(26)39(61)24(11-30(54)55)44-34(25)57/h5-8,17-19,23-27,31-32,45,49-51H,4,9-16H2,1-3H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/t17-,18-,19+,23-,24-,25+,26-,27-,31-,32-,63+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H53N9O14S
Molecular Weight	903.955
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:51:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:16 GMT 2025`
Record UNII	VIW95I76GY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMANIN

Common Name

English

.ALPHA.-AMANITIN, 1-L-ASPARTIC ACID-4-(2-MERCAPTO-L-TRYPTOPHAN)-

Preferred Name

English

CYCLO(L-.ALPHA.-ASPARTYL-4-HYDROXY-L-PROLYL-(R)-4,5-DIHYDROXY-L-ISOLEUCYL-2-MERCAPTO-L-TRYPTOPHYLGLYCYL-L-ISOLEUCYLGLYCYL-L-CYSTEINYL) CYCLIC (4->8)-SULFIDE (R)-S-OXIDE

Common Name

English

AMANINE

Common Name

English

Code System Code Type Description

WIKIPEDIA

Amanin