ORIENTICIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H86ClN9O27
Molecular Weight	1544.95
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]5C[C@H](O)[C@@H](O)[C@H](C)O5)C6=CC(=C3)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@]7([H])C8=CC=C(O)C(=C8)C9=C(C=C(O)C=C9O)[C@H](NC(=O)[C@@]([H])(NC7=O)[C@H](O[C@H]%10C[C@](C)(N)[C@@H](O)[C@H](C)O%10)C%11=CC(Cl)=C(O6)C=C%11)C(O)=O)C=C2

InChI

InChIKey=VUYIFQIEISVCHE-PJLQRIENSA-N

InChI=1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)/t27-,28-,38+,39-,42-,46+,48-,49-,51+,52+,53-,54+,55-,56-,57+,58+,59-,60+,62+,63-,71-,72-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C72H86ClN9O27
Molecular Weight	1544.95
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:07:58 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:58 GMT 2023`
Record UNII	Y19P95P85D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORIENTICIN B

Common Name

English

ANTIBIOTIC PA-42867B

Code

English

VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-3''-DEAMINO-10-DECHLORO-3''-DEMETHYL-3''-HYDROXY-, (3''S,4''R)-

Common Name

English

Code System Code Type Description

FDA UNII

Y19P95P85D

Created by admin on Sat Dec 16 10:07:58 GMT 2023 , Edited by admin on Sat Dec 16 10:07:58 GMT 2023

PRIMARY

PUBCHEM

90479416

Created by admin on Sat Dec 16 10:07:58 GMT 2023 , Edited by admin on Sat Dec 16 10:07:58 GMT 2023

PRIMARY

CAS

111073-19-9

Created by admin on Sat Dec 16 10:07:58 GMT 2023 , Edited by admin on Sat Dec 16 10:07:58 GMT 2023

PRIMARY