U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C64H90N12O16
Molecular Weight 1283.4702
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTINOMYCIN C3

SMILES

[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C3=C4N=C5C(OC4=C(C)C=C3)=C(C)C(=O)C(N)=C5C(=O)N[C@H]6[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]7([H])CCCN7C(=O)[C@H](NC6=O)C(C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)CC

InChI

InChIKey=XLGPRYUFOGVPMM-WUXANXDBSA-N
InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t31-,32-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1

HIDE SMILES / InChI

Molecular Formula C64H90N12O16
Molecular Weight 1283.4702
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:20:17 GMT 2023
Edited
by admin
on Fri Dec 15 18:20:17 GMT 2023
Record UNII
6Z5DS38J6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACTINOMYCIN C3
Common Name English
ACTINOMYCIN D, 2A-D-ALLOISOLEUCINE-2B-D-ALLOISOLEUCINE-
Common Name English
3H-PHENOXAZINE-1,9-DICARBOXAMIDE, 2-AMINO-N,N'-BIS(HEXADECAHYDRO-2,5,9-TRIMETHYL-6-(1-METHYLETHYL)-13-(1-METHYLPROPYL)-1,4,7,11,14-PENTAOXO-1H-PYRROLO(2,1-I)(1,4,7,10,13)OXATETRAAZACYCLOHEXADECIN-10-YL)-4,6-DIMETHYL-3-OXO-
Common Name English
NSC-87222
Code English
Classification Tree Code System Code
NCI_THESAURUS C204
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
Code System Code Type Description
FDA UNII
6Z5DS38J6F
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
PUBCHEM
20055431
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
NCI_THESAURUS
C99564
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
CAS
6156-47-4
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
MESH
C010008
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30873421
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
SMS_ID
100000177641
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY
NSC
87222
Created by admin on Fri Dec 15 18:20:17 GMT 2023 , Edited by admin on Fri Dec 15 18:20:17 GMT 2023
PRIMARY