PLOCABULIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H45N3O7
Molecular Weight	571.7049
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC[C@H](OC1=O)[C@@H](C)\C=C(C)\C=C/C=C\C(=O)N[C@H](C(=O)N\C=C/C[C@H](C\C=C/C)OC(N)=O)C(C)(C)C

InChI

InChIKey=IEKGSKLKBICCHQ-BDOJOPHNSA-N

InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H45N3O7
Molecular Weight	571.7049
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:40:30 UTC 2023` Edited by `admin` on `Sat Dec 16 10:40:30 UTC 2023`
Record UNII	52Y8L60CR7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PLOCABULIN

Official Name

English

plocabulin [INN]

Common Name

English

PM060184

Code

English

Plocabulin [WHO-DD]

Common Name

English

J3.348.355D

Code

English

PM-060184

Code

English

2,4,6-NONATRIENAMIDE, N-((1S)-1-((((1Z,4S,6Z)-4-((AMINOCARBONYL)OXY)-1,6-OCTADIEN-1-YL)AMINO)CARBONYL)-2,2-DIMETHYLPROPYL)-8-((2S)-3,6-DIHYDRO-5-METHOXY-6-OXO-2H-PYRAN-2-YL)-6-METHYL-, (2Z,4Z,6E,8S)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2115