Properties
Canonical smiles
CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O
Chemical formula
C₂₇H₄₄N₁₀O₆
Isomeric smiles
CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
Mass
+604.345
Stereoisomer of
(2R)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
External References (21)
Cas registry number
37691-11-5
Chembl id
CHEMBL1230912
Chemspider id
34678
Drugbank id
DB15251
Dsstox compound identifier
DTXCID301386630
Dsstox substance id
DTXSID40958733
Ec number
253-631-0
Echa substance infocard id
100.048.738
Freebase id
/m/0h53fkg
Inchi
InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1
Inchikey
SDNYTAYICBFYFH-TUFLPTIASA-N
Mesh descriptor id
D000976
Mesh tree code
D12.644.456.120
Microsoft academic id (discontinued)
2781378782
Openalex id
C2781378782
Probes and drugs id
PD121990
Pubchem cid
37817
Surechembl id
642095, 28938034
Umls cui
C0003403
Unichem compound id
1026357
Unii
47V479BE6L
