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Details

Stereochemistry ABSOLUTE
Molecular Formula C89H125N25O25S3
Molecular Weight 2041.292
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINNAMYCIN

SMILES

CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7CNCCCC[C@H](NC(=O)[C@@H]8NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CS[C@H]8C)C(=O)N[C@@H](CS[C@H]3C)C(=O)N7)NC1=O)[C@@H](O)C(O)=O)C(O)=O

InChI

InChIKey=QJDWKBINWOWJNZ-OURZNGJWSA-N
InChI=1S/C89H125N25O25S3/c1-43(2)66-84(133)109-59-41-140-40-58-79(128)108-60-42-142-45(4)68(86(135)105-55(75(124)110-66)34-48-22-12-7-13-23-48)111-76(125)54(33-47-20-10-6-11-21-47)104-82(131)61-26-17-31-114(61)65(118)38-98-72(121)53(32-46-18-8-5-9-19-46)103-78(127)57(106-80(60)129)36-95-29-15-14-24-52(87(136)137)102-85(134)67(112-77(126)56(35-63(92)116)99-64(117)37-97-83(132)69(113-81(59)130)70(119)88(138)139)44(3)141-39-49(90)71(120)100-50(25-16-30-96-89(93)94)73(122)101-51(74(123)107-58)27-28-62(91)115/h5-13,18-23,43-45,49-61,66-70,95,119H,14-17,24-42,90H2,1-4H3,(H2,91,115)(H2,92,116)(H,97,132)(H,98,121)(H,99,117)(H,100,120)(H,101,122)(H,102,134)(H,103,127)(H,104,131)(H,105,135)(H,106,129)(H,107,123)(H,108,128)(H,109,133)(H,110,124)(H,111,125)(H,112,126)(H,113,130)(H,136,137)(H,138,139)(H4,93,94,96)/t44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,66-,67+,68+,69-,70+/m0/s1

HIDE SMILES / InChI

Molecular Formula C89H125N25O25S3
Molecular Weight 2041.292
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:11:11 GMT 2023
Edited
by admin
on Sat Dec 16 13:11:11 GMT 2023
Record UNII
UM32RAQ8SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINNAMYCIN
Common Name English
RO-09-0198
Code English
NSC-71936
Code English
LANTHIOPEPTIN
Common Name English
CYS-ARG-GLN-CYS-CYS-3-NH2-ALA-PHE-GLY-PRO-PHE-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-PHE-VAL-CYS-3-OH-.ALPHA.-ASP-GLY-ASN-(2S,3S)-2-AMINO-3-MERCAPTOBUTANOYL-LYS DISULFIDE BRIDGES 1-18, 4-14, 5-11, LYSINOALANINE BRIDGE 6-19
Systematic Name English
Code System Code Type Description
NSC
71936
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY
CHEBI
141991
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY
PUBCHEM
131801649
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY
CAS
110655-58-8
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY
WIKIPEDIA
Cinnamycin
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY
FDA UNII
UM32RAQ8SC
Created by admin on Sat Dec 16 13:11:11 GMT 2023 , Edited by admin on Sat Dec 16 13:11:11 GMT 2023
PRIMARY