AMANINAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H54N10O13S
Molecular Weight	902.97
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=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(N)=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)[C@@H](C)CC

InChI

InChIKey=BOHCOUQZNDPURZ-ICNZIKDASA-N

InChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17-,18-,19+,23-,24-,25-,26-,27-,31-,32-,63+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H54N10O13S
Molecular Weight	902.97
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 `Sat Dec 16 08:30:58 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:58 GMT 2023`
Record UNII	A0W351848Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMANINAMIDE

Common Name

English

CYCLO(L-ASPARAGINYL-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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

58311-65-2