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

[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)C

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:07:23 GMT 2023` Edited by `admin` on `Fri Dec 15 15:07:23 GMT 2023`
Record UNII	719U3YSA1F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ACTINOMYCIN C2

Common Name

English

NSC-87221

Code

English

ACTINOMYCIN D, 2A-D-ALLOISOLEUCINE-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C204