5-Benzyl-1,4,7,10,13-pentahydroxy-14-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-11-(3-hydroxy-3-iminopropyl)-1-imino-8-[(1H-indol-3-yl)methyl]-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraen-16-oic acid
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Basic information
- CAS
129809-09-2- Standard SMILES
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O- InChIKey
VTQMNICJVWMKEV-QKUYTOGTSA-N- Molecular formula
- C39H51N9O10
- Average molar mass
- 805.89 g/mol
- Monoisotopic mass
- 805.37588883
Names & identifiers
- Preferred name
- 5-Benzyl-1,4,7,10,13-pentahydroxy-14-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-11-(3-hydroxy-3-iminopropyl)-1-imino-8-[(1H-indol-3-yl)methyl]-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraen-16-oic acid
- IUPAC
- (5S,8S,11S,14S)-5-Benzyl-1,4,7,10,13-pentahydroxy-14-({(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-11-(3-hydroxy-3-iminopropyl)-1-imino-8-[(1H-indol-3-yl)methyl]-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraen-16-oic acid
- English name
- Ac-Leu-Asp-Gln-Trp-Phe-Gly-NH2
- Molecular formula
- C39H51N9O10
- Molecular weight
- 805.88
Names & synonyms
R396Ac-LDQWFG-amideAc-Leu-Asp-Gln-Trp-Phe-Gly-NH2NEUROKININ NK-2 RECEPTOR ANTAGONISTAc-L-Leu-L-Asp-L-Gln-L-Trp-L-Phe-Gly-NH2Glycinamide, N-acetyl-L-leucyl-L-α-aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-
Database identifiers
- CAS
129809-09-2- PubChem CID
- 164286
- DTXSID
DTXSID90926503- Nikkaji
- J277.779G
Properties
Physicochemical properties
- storage temp.
- -15 °C · -15°C
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Compound notes
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