NPC 17731

cas: 147267-10-5 — see every product listed under this CAS number, including other names

NPC 17731 (CAS 147267-10-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas147267-10-5
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Structural formula: {0} (CAS {1})

(2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid (CAS 147267-10-5) is a chemical compound with the molecular formula C59H95N19O14 and a molecular weight of 1294.5 g/mol. IUPAC name: (2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid. InChIKey: WYWZCALINPVKJW-KOCZGPIPSA-N.

Identity
Molecular formulaC59H95N19O14
Molecular weight1294.5 g/mol
IUPAC name(2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid
InChIKeyWYWZCALINPVKJW-KOCZGPIPSA-N
SMILESCCCO[C@H]1C[C@@H](NC1)C(=O)N(C(=O)C2C[C@@H]3CCCC[C@@H]3N2)[C@@](C(CCN=C(N)N)C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)(C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CNC(=O)[C@@H]6CC(CN6)O)C(=O)O

Computed by PubChem (NCBI)

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