ACTINOMYCIN C2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H88N12O16
Molecular Weight	1269.4436
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(C)=C3OC4=C(N=C23)C(=CC=C4C)C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O

InChI

InChIKey=QCXJFISCRQIYID-GKYLFGMSSA-N

InChI=1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t31-,34+,35+,37-,38-,43+,44+,45-,46-,49-,50-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C63H88N12O16
Molecular Weight	1269.4436
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Preclinical characterization of BMS-791325, an allosteric inhibitor of hepatitis C Virus NS5B polymerase.	2014-06	24733465
Cytotoxic and HIV-1 enzyme inhibitory activities of Red Sea marine organisms.	2014-02-25	24568567

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:47:14 GMT 2025` Edited by `admin` on `Mon Mar 31 17:47:14 GMT 2025`
Record UNII	719U3YSA1F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-87221

Preferred Name

English

ACTINOMYCIN C2

Common Name

English

ACTINOMYCIN D, 2A-D-ALLOISOLEUCINE-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C204