(2S)-2-[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-azanyl-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-1-oxopentoxy]-4-methyl-1-oxooctyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-amino-3-methylpentanoyl]oxy-4-methyloctanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2R)-1-[(3S,4S)-3-[(2R,3S)-2-amino-3-methyl-pentanoyl]oxy-4-methyl-octanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]propionic acid Formula: C27H47N3O6 MolecularWeight: 509.67858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CC(=O)N1C2CCCCC2CC1C(=O)NC(C)C(=O)O)OC(=O)C(C(C)CC)N

Isomeric SMILES

CCCC[C@H](C)[C@H](CC(=O)N1[C@H](CC2C1CCCC2)C(=O)N[C@@H](C)C(=O)O)OC(=O)[C@@H]([C@@H](C)CC)N

InChI

InChI=1S/C27H47N3O6/c1-6-8-11-17(4)22(36-27(35)24(28)16(3)7-2)15-23(31)30-20-13-10-9-12-19(20)14-21(30)25(32)29-18(5)26(33)34/h16-22,24H,6-15,28H2,1-5H3,(H,29,32)(H,33,34)/t16-,17-,18-,19?,20?,21+,22-,24+/m0/s1