TYROCIDINE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C68H88N14O13
Molecular Weight	1309.5123
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](CC7=CC=CC=C7)NC1=O)C(C)C

InChI

InChIKey=PUVWPDQSNYAMEH-UQHIYWQBSA-N

InChI=1S/C68H88N14O13/c1-38(2)31-49-61(88)80-54(34-41-17-9-6-10-18-41)68(95)82-30-14-22-55(82)66(93)79-52(35-43-37-72-46-20-12-11-19-45(43)46)63(90)77-50(32-40-15-7-5-8-16-40)62(89)78-53(36-57(71)85)64(91)73-48(27-28-56(70)84)60(87)76-51(33-42-23-25-44(83)26-24-42)65(92)81-58(39(3)4)67(94)74-47(21-13-29-69)59(86)75-49/h5-12,15-20,23-26,37-39,47-55,58,72,83H,13-14,21-22,27-36,69H2,1-4H3,(H2,70,84)(H2,71,85)(H,73,91)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,89)(H,79,93)(H,80,88)(H,81,92)/t47-,48-,49-,50+,51-,52-,53-,54+,55-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C68H88N14O13
Molecular Weight	1309.5123
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:42:34 UTC 2023` Edited by `admin` on `Sat Dec 16 18:42:34 UTC 2023`
Record UNII	SJF9708KDB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TYROCIDINE B

Common Name

English

TYROCIDINE B [MI]

Common Name

English

TYROCIDINE A, 9-L-TRYPTOPHAN-

Common Name

English

CYCLO(L-ASPARAGINYL-L-GLUTAMINYL-L-TYROSYL-L-VALYL-L-ORNITHYL-L-LEUCYL-D-PHENYLALANYL-L-PROLYL-L-TRYPTOPHYL-D-PHENYLALANYL)

Common Name

English

TYROCIDIN B

Common Name

English

Code System Code Type Description

PUBCHEM

16160723