Structure

Leucokinin i

CAS
104600-89-7
Catalog Number
ACM104600897
Category
Other Products
Molecular Weight
891.93
Molecular Formula
C41H53N11O12

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Specification

Synonyms
Leucokinin I, 104600-89-7, Leukokinin I, Asp-pro-ala-phe-asn-ser-trp-gly-NH2, AC1NUS5K, C15927, (3S)-3-amino-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
IUPAC Name
(3S)-3-amino-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-y
Canonical SMILES
CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N)NC(=O)C4CCCN4C(=O)C(CC(=O)O)N
InChI Key
ADMFWPBDASJZNU-SKHNUPMMSA-N
Boiling Point
1513.4ºC at 760mmHg
Flash Point
869.1ºC
Density
1.42g/cm³
Exact Mass
891.38800
H-Bond Acceptor
13
H-Bond Donor
12
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