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Gltpnmnslffamide

HCID 190967
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Basic information

CAS
162558-26-1
Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey
ZWZYDTCVHXJJCR-VWCDQEPWSA-N
Molecular formula
C57H86N14O15S
Average molar mass
1,239.4 g/mol
Monoisotopic mass
1,238.61177927

Overview

involved in the control of vas deferens motility in snail, Lymnaea stagnalis

Names & identifiers

Preferred name
Gltpnmnslffamide
IUPAC
(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]butanediamide
English name
GLTPNMNSLFFamide
Molecular formula
C57H86N14O15S
Molecular weight
1239.44

Names & synonyms

GltpnmnslffamideGltpnmnslff-NH2162558-26-1Gly-leu-thr-pro-asn-met-asn-ser-leu-phe-phe-NH2RefChem:1435236-Fluoro-4-hydroxy-2H-1-Benzopyran-2-oneL-Phenylalaninamide, glycyl-L-leucyl-L-threonyl-L-prolyl-L-asparaginyl-L-methionyl-L-asparaginyl-L-seryl-L-leucyl-L-phenylalanyl- (9CI)

Database identifiers

CAS
162558-26-1
PubChem CID
190967

Properties

Computed structural properties

XLogP
-2.2
Topological polar surface area
503 Ų
Hydrogen bond donors
15
Hydrogen bond acceptors
17
Rotatable bonds
37
Heavy atoms
87
Formal charge
0
Complexity
2,370

Physicochemical properties

Boiling point
1682.1 · 1682.1±65.0 °C(Predicted)
Density
1.304 · 1.304±0.06 g/cm3(Predicted)
pka
12.93 · 12.93±0.46(Predicted)

Related reactions

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