ACTINOMYCIN C3

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 Search

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

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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