(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Base Information

Chemical Name:(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
CAS No.:113294-82-9
Molecular Formula:C54H71 N11 O10 S2
Molecular Weight:1098.34
Hs Code.:
DSSTox Substance ID:DTXSID10150348
Wikidata:Q83016404
Mol file:113294-82-9.mol

(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Synonyms:188Re-lanreotide;2-naphthylalanyl-cyclo(cysteinyl-tyrosyl-tryptophyl-lysyl-valyl-cysteinyl)-threoninamide;3-(2-naphthyl)-D-Ala-Cys-Tyr-D-Trp-Lys-Val-Cys-Thr-NH2;3-(2-naphthyl)alanyl-cystinyl-tyrosyl-tryptophyl-lysyl-valyl-cystinyl-threonine amide;angiopeptin;BIM 23014;BIM 23014 C;BIM 23014C;BIM-23014;BIM-23014 C;D-Nal-Cys-Tyr-Trp-Lys-Val-Cys-Thr-NH2;DC 13-116;DC-13-116;DC13-116;L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide;lanreotide;lanreotide acetate;lanreotide-SR;Nal-cyclo(Cys-Tyr-Trp-Lys-Val-Cys)-Thr-NH2;Nal-cyclo(Cys-Tyr-Trp-Lys-Val-Cys)Thr-NH2;naphthalenyl-cyclo(cysteinyl-tyrosyl-tryptophyl-lysyl-valyl-cysteinyl)threoninamide;naphthyl-cyclo(Cys-Tyr-Trp-Lys-Val-Cys)Thr-NH2;Somatulin;Somatulina;Somatuline

Suppliers and Price of (2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1502.5°Cat760mmHg
PKA:9.16±0.10(Predicted)
Flash Point:862.5°C
Density:1.324g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:30
Exact Mass:1097.48267985
Heavy Atom Count:77
Complexity:1950

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Canonical SMILES:CCCC(C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N
Isomeric SMILES:CCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CS)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)N
Uses Linear Lanreotide is an impurity of Lanreotide (CAS 108736-35-2) which can be used in biological study of computational approach to structural alerts in relation to furans, phenols, nitroaromatics, and thiophenes.

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