MYCOBACILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H85N13O30
Molecular Weight	1528.4395
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)CC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC1=O)C(O)=O)C(O)=O

InChI

InChIKey=MGMBOQJARKXIAL-LCLLRQAKSA-N

InChI=1S/C65H85N13O30/c1-28(2)19-36-55(96)69-34(64(105)106)15-17-47(83)68-39(22-48(84)85)54(95)66-29(3)53(94)76-43(26-52(92)93)63(104)78-18-4-5-45(78)62(103)75-42(25-51(90)91)58(99)70-35(65(107)108)14-16-46(82)67-37(20-30-6-10-32(80)11-7-30)56(97)73-40(23-49(86)87)60(101)72-38(21-31-8-12-33(81)13-9-31)57(98)77-44(27-79)61(102)74-41(24-50(88)89)59(100)71-36/h6-13,28-29,34-45,79-81H,4-5,14-27H2,1-3H3,(H,66,95)(H,67,82)(H,68,83)(H,69,96)(H,70,99)(H,71,100)(H,72,101)(H,73,97)(H,74,102)(H,75,103)(H,76,94)(H,77,98)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,105,106)(H,107,108)/t29-,34+,35+,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C65H85N13O30
Molecular Weight	1528.4395
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:24:00 GMT 2023` Edited by `admin` on `Sat Dec 16 08:24:00 GMT 2023`
Record UNII	XY4W543XGK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MYCOBACILLIN

Common Name

English

CYCLO(L-ALANYL-D-.ALPHA.-ASPARTYL-L-PROLYL-D-.ALPHA.-ASPARTYL-D-.GAMMA.-GLUTAMYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-TYROSYL-L-SERYL-D-.ALPHA.-ASPARTYL-L-LEUCYL-D-.GAMMA.-GLUTAMYL-D-.ALPHA.-ASPARTYL)

Systematic Name

English

MYCOBACILLIN [MI]

Common Name

English

Code System Code Type Description

FDA UNII

XY4W543XGK