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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 of AMANIN

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(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)[C@@H](C)CC

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VIW95I76GY
Record Status Validated (UNII)
Record Version