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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H55N9O11
Molecular Weight 777.8649
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIACETYLSPLENOPENTIN

SMILES

CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=KSWRINCJIKCVPA-RRUDZPKISA-N
InChI=1S/C35H55N9O11/c1-19(2)29(33(53)43-27(34(54)55)18-22-10-12-23(47)13-11-22)44-32(52)26(14-15-28(48)49)42-31(51)25(8-5-6-16-38-20(3)45)41-30(50)24(40-21(4)46)9-7-17-39-35(36)37/h10-13,19,24-27,29,47H,5-9,14-18H2,1-4H3,(H,38,45)(H,40,46)(H,41,50)(H,42,51)(H,43,53)(H,44,52)(H,48,49)(H,54,55)(H4,36,37,39)/t24-,25-,26-,27-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H55N9O11
Molecular Weight 777.8649
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
83GZC98HDD
Record Status Validated (UNII)
Record Version