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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 of VL-2397

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

Approval Year

Name Type Language
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
ASP-2397
Code English
ASP2397
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 498415
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
Code System Code Type Description
FDA UNII
E39B3691TD
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
PRIMARY
SMS_ID
300000041477
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
PRIMARY
CAS
1186200-57-6
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
PRIMARY
PUBCHEM
77843968
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
PRIMARY
NCI_THESAURUS
C153067
Created by admin on Sat Dec 16 11:31:04 GMT 2023 , Edited by admin on Sat Dec 16 11:31:04 GMT 2023
PRIMARY