AMDAKEFALIN DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H53N7O6.2C2H4O2
Molecular Weight	811.9639
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N3[C@H]4C[C@@H]3CN(CC(O)=O)C4

InChI

InChIKey=LEANGJPBVHJNDZ-DTAFVHCRSA-N

InChI=1S/C37H53N7O6.2C2H4O2/c1-24(2)17-31(35(48)40-30(15-9-10-16-38)37(50)44-27-20-28(44)22-43(21-27)23-33(45)46)42-36(49)32(19-26-13-7-4-8-14-26)41-34(47)29(39)18-25-11-5-3-6-12-25;2*1-2(3)4/h3-8,11-14,24,27-32H,9-10,15-23,38-39H2,1-2H3,(H,40,48)(H,41,47)(H,42,49)(H,45,46);2*1H3,(H,3,4)/t27-,28+,29-,30-,31-,32-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C37H53N7O6
Molecular Weight	691.86
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:30:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:30:03 GMT 2023`
Record UNII	73J9AQE4VF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMDAKEFALIN DIACETATE

Common Name

English

3,6-DIAZABICYCLO(3.1.1)HEPTANE-3-ACETIC ACID, 6-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-, ACETATE (1:2)

Systematic Name

English

Code System Code Type Description

CAS

2253747-72-5

Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023

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FDA UNII

73J9AQE4VF

Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023

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PUBCHEM

145996703

Created by admin on Sat Dec 16 15:30:03 GMT 2023 , Edited by admin on Sat Dec 16 15:30:03 GMT 2023

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