BOUVARDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H48N6O10
Molecular Weight	772.8433
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](O)C3=CC=C(OC4=C(O)C=CC(C[C@H](N(C)C1=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC5=CC=C(OC)C=C5)C(=O)N[C@@H](C)C(=O)N2C)=C4)C=C3

InChI

InChIKey=TWOWSRSKGJSZHZ-YXJYTWHVSA-N

InChI=1S/C40H48N6O10/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)/t21-,22+,23+,29+,30+,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H48N6O10
Molecular Weight	772.8433
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:23:25 GMT 2023` Edited by `admin` on `Sat Dec 16 09:23:25 GMT 2023`
Record UNII	22AY1D3UAX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOUVARDIN

Common Name

English

CYCLO(D-ALANYL-L-ALANYL-N,O-DIMETHYL-L-TYROSYL-L-ALANYL-(.BETA.S)-.BETA.-HYDROXY-N-METHYL-L-TYROSYL-3-HYDROXY-N-METHYL-L-TYROSYL), CYCLIC (5(SUP 4)->6(SUP 3))-ETHER

Systematic Name

English

NSC-259968

Code

English

Code System Code Type Description

EPA CompTox

DTXSID30983377