(2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-azanyl-2-[[(2S)-2-[[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazin-3-yl]carbonylamino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-azanyl-2-[[(2S)-2-[[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazin-3-yl]carbonylamino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(E)-2-[[(2S)-2-[[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxobutyl]-4,5-dihydro-3H-pyridazin-3-yl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopent-2-enyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[(2-amino-3-hydroxy-2-methylol-propanoyl)amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methyl-pent-2-enoyl]amino]-3-hydroxy-propionic acid Formula: C28H47N9O11 MolecularWeight: 685.72648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)NC(CO)C(=O)O)NC(=O)C(C)NC(=O)C1CCC=NN1C(=O)C(C(C)N)NC(=O)C(C)NC(=O)C(CO)(CO)N)C

Isomeric SMILES

CC/C(=C(\C(=O)N[C@@H](CO)C(=O)O)/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@H](C)N)NC(=O)[C@H](C)NC(=O)C(CO)(CO)N)/C

InChI

InChI=1S/C28H47N9O11/c1-6-13(2)19(24(44)34-17(10-38)26(46)47)35-21(41)15(4)32-23(43)18-8-7-9-31-37(18)25(45)20(14(3)29)36-22(42)16(5)33-27(48)28(30,11-39)12-40/h9,14-18,20,38-40H,6-8,10-12,29-30H2,1-5H3,(H,32,43)(H,33,48)(H,34,44)(H,35,41)(H,36,42)(H,46,47)/b19-13+/t14-,15-,16-,17-,18-,20-/m0/s1