(2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]amino]-3-(3-pyridyl)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-1-oxopentoxy]-4-methyl-1-oxooctyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-amino-3-methylpentanoyl]oxy-4-methyloctanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]amino]-3-(3-pyridyl)propanoyl]amino]propionic acid Formula: C26H42N4O6 MolecularWeight: 506.63488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CC(=O)NC(CC1=CN=CC=C1)C(=O)NC(C)C(=O)O)OC(=O)C(C(C)CC)N

Isomeric SMILES

CCCC[C@H](C)[C@H](CC(=O)N[C@@H](CC1=CN=CC=C1)C(=O)N[C@@H](C)C(=O)O)OC(=O)[C@@H]([C@@H](C)CC)N

InChI

InChI=1S/C26H42N4O6/c1-6-8-10-17(4)21(36-26(35)23(27)16(3)7-2)14-22(31)30-20(13-19-11-9-12-28-15-19)24(32)29-18(5)25(33)34/h9,11-12,15-18,20-21,23H,6-8,10,13-14,27H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t16-,17-,18-,20-,21-,23+/m0/s1