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IUPAC Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid | CAS Registry Number: 25613-79-0
Synonyms: Ceruletide, Tymtran, 8-Nle-cer(4-10), Nle(8)-ceruletide(4-10), 8-Norleucine-ceruletide(4-10), Caerulein(4-10), nle(8)-, Ceruletide(4-10), 8-norleucine-, CID168399, DB00403, Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-8-L-norleucine-, (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid

Molecular Formula:	C₄₅H₅₇N₉O₁₄S	Molecular Weight:	980.050980 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	15

InChIKey: GZCDGEPFXQGWOW-RMNOTBJOSA-N