(2S)-2-[[2-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-7-methoxy-6,8-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-4-methyl-5-oxidanyl-pentanoic acid

Systemtic Name: (2S)-2-[[2-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-7-methoxy-6,8-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-4-methyl-5-oxidanyl-pentanoic acid Openeye Name: (2S)-2-[[2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[2-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-5-hydroxy-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methyl-valeric acid Formula: C28H34N4O8 MolecularWeight: 554.59156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)NC(=O)C1CC2=CC(=C(C(=C2CN1C(=O)C(CC3=CNC4=CC=CC=C43)N)O)OC)O)CO

Isomeric SMILES

CC(C[C@@H](C(=O)O)NC(=O)C1CC2=CC(=C(C(=C2CN1C(=O)[C@H](CC3=CNC4=CC=CC=C43)N)O)OC)O)CO

InChI

InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21-,22?/m0/s1