VL-2397

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H59N10O13.Al
Molecular Weight	914.9372
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Al+3].CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O

InChI

InChIKey=NRHTWBFQTMOOKS-FELWXBABSA-N

InChI=1S/C40H59N10O13.Al/c1-23(2)20-31-38(58)46-32(21-27-12-7-6-8-13-27)39(59)44-29(15-10-18-49(62)25(4)52)36(56)42-28(14-9-17-48(61)24(3)51)35(55)43-30(16-11-19-50(63)26(5)53)37(57)47-33(22-34(41)54)40(60)45-31;/h6-8,12-13,23,28-33H,9-11,14-22H2,1-5H3,(H2,41,54)(H,42,56)(H,43,55)(H,44,59)(H,45,60)(H,46,58)(H,47,57);/q-3;+3/t28-,29-,30-,31-,32+,33-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Al
Molecular Weight	26.9815386
Charge	3
Count

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

Molecular Formula	C40H59N10O13
Molecular Weight	887.9557
Charge	-3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:29:52 GMT 2025` Edited by `admin` on `Tue Apr 01 16:29:52 GMT 2025`
Record UNII	E39B3691TD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP-2397

Preferred Name

English

VL-2397

Common Name

English

CYCLO(-ASN-LEU-D-PHE-AL((N5-ACETYL-N5-HYDROXY-ORN)-(N5-ACETYL-N5-HYDROXY-ORN)-(N5-HYDROXY-ORN))-) . AL(III)

Common Name

English

CYCLO(L-ASPARAGINYL-L-LEUCYL-D-PHENYLALANYL-N5-ACETYL-N5-HYDROXY-L-ORNITHYL-N5-ACETYL-N5-HYDROXY-L-ORNITHYL-N5-ACETYL-N5-HYDROXY-L-ORNITHYL), ALUMINUM SALT (1:1)

Systematic Name

English

ASP2397

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

498415