CEFILAVANCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C87H95Cl3N16O28S2
Molecular Weight	1983.265
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCCCNC(=O)[C@H]4NC(=O)[C@H]5NC(=O)[C@H](NC(=O)[C@@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C7=CC=C(OC8=C(O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@@]9([H])O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)C(OC%11=C(Cl)C=C(C=C%11)[C@H]5O)=CC6=C8)C(Cl)=C7)C%12=CC(=C(O)C=C%12)C%13=C4C=C(O)C=C%13O)\C%14=C(Cl)SC(N)=N%14)C([O-])=O

InChI

InChIKey=OGUAFUAJSPORAH-KHCCTVBNSA-N

InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C87H95Cl3N16O28S2
Molecular Weight	1983.265
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	2
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800020586

Cefilavancin is a covalently-linked glycopeptide-cephalosporin (beta-lactam) heterodimer antibiotic that exhibits substantially greater activity than its component parts against Gram-positive bacteria.

Originator

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:05 UTC 2023` Edited by `admin` on `Sat Dec 16 08:55:05 UTC 2023`
Record UNII	F76229E21M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFILAVANCIN

Official Name

English

cefilavancin [INN]

Common Name

English

Cefilavancin [WHO-DD]

Common Name

English

VANCOMYCIN, 26-(((3-(((Z)-(1-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(((6R,7R)-2-CARBOXY-8-OXO-3-(PYRIDINIOMETHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-7-YL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)PROPYL)AMINO)CARBONYL)-26-DECARBOXY-

Systematic Name

English

TD-1792

Code

English

Code System Code Type Description

FDA UNII

F76229E21M