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L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-

HCID 449338
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Basic information

CAS
165074-99-7
Standard SMILES
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)C(C)C
InChIKey
CFJSRALSOWEJGV-WAGJPQHASA-N
Molecular formula
C46H58N6O9
Average molar mass
839 g/mol
Monoisotopic mass
838.42652745

Names & identifiers

Preferred name
L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-
IUPAC
(4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Names & synonyms

LP 149LP-149165074-99-7L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-1fivSCHEMBL29473544DTXSID20167841(4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-5-[[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid(4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-3-(naphthalen-1-yl)-1-oxopropan-2-yl]carbamoyl}-11-hydroxy-10-(2-methylpropyl)-4-[(naphthalen-1-yl)methyl]-2,5,8,13-tetraoxo-7-(propan-2-yl)-3,6,9,14-tetraazaoctadecan-18-oic acid

Database identifiers

CAS
165074-99-7
PubChem CID
449338
DTXSID
DTXSID20167841

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
246 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
9
Rotatable bonds
22
Heavy atoms
61
Formal charge
0
Complexity
1,510

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