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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H101N17O27
Molecular Weight 1636.67
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-D-Serinedaptomycin

SMILES

CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)C4=C(N)C=CC=C4)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(O)=O

InChI

InChIKey=SQKTVFWOBAZZAC-ZPXKDIRESA-N
InChI=1S/C72H101N17O27/c1-4-5-6-7-8-9-10-21-53(94)80-43(24-37-30-76-41-19-14-12-16-38(37)41)64(107)82-44(26-52(75)93)65(108)85-47(29-59(103)104)67(110)89-61-36(3)116-72(115)48(25-51(92)39-17-11-13-18-40(39)74)86-71(114)60(35(2)23-56(97)98)88-69(112)49(33-90)81-55(96)31-77-62(105)45(27-57(99)100)83-68(111)50(34-91)87-66(109)46(28-58(101)102)84-63(106)42(20-15-22-73)79-54(95)32-78-70(61)113/h11-14,16-19,30,35-36,42-50,60-61,76,90-91H,4-10,15,20-29,31-34,73-74H2,1-3H3,(H2,75,93)(H,77,105)(H,78,113)(H,79,95)(H,80,94)(H,81,96)(H,82,107)(H,83,111)(H,84,106)(H,85,108)(H,86,114)(H,87,109)(H,88,112)(H,89,110)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t35-,36-,42+,43+,44-,45+,46+,47+,48+,49-,50-,60+,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula C72H101N17O27
Molecular Weight 1636.67
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:29:50 GMT 2025
Edited
by admin
on Tue Apr 01 23:29:50 GMT 2025
Record UNII
L8WTM69KWZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-D-Serinedaptomycin
Common Name English
N-DECANOYL-L-TRYPTOPHYL-D-ASPARAGINYL-L-ASPARTYL-L-THREONYLGLYCYL-L-ORNITHYL-L-ASPARTYL-D-SERYL-L-ASPARTYLGLYCYL-D-SERYL-THREO-3-METHYL-L-GLUTAMYL-3-ANTHRANILOYL-L-ALANINE .EPSILON.1-LACTONE
Preferred Name English
Code System Code Type Description
CAS
921590-20-7
Created by admin on Tue Apr 01 23:29:50 GMT 2025 , Edited by admin on Tue Apr 01 23:29:50 GMT 2025
PRIMARY
FDA UNII
L8WTM69KWZ
Created by admin on Tue Apr 01 23:29:50 GMT 2025 , Edited by admin on Tue Apr 01 23:29:50 GMT 2025
PRIMARY
Related Record Type Details
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