(2S,3S)-3-methyl-2-[[(2S)-3-(5-methyl-1H-indol-3-yl)-2-[3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]propanoylamino]propanoyl]amino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[[(2S)-3-(5-methyl-1H-indol-3-yl)-2-[3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]propanoylamino]propanoyl]amino]pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[3-(3-tert-butoxycarbonyl-1,3-oxazinan-2-yl)propanoylamino]-3-(5-methyl-1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[(2S)-3-(5-methyl-1H-indol-3-yl)-2-[[3-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-oxazinan-2-yl]-1-oxopropyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[[(2S)-3-(5-methyl-1H-indol-3-yl)-2-[3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]propanoylamino]propanoyl]amino]pentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[3-(3-tert-butoxycarbonyl-1,3-oxazinan-2-yl)propanoylamino]-3-(5-methyl-1H-indol-3-yl)propanoyl]amino]-3-methyl-valeric acid Formula: C30H44N4O7 MolecularWeight: 572.69296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)C)NC(=O)CCC3N(CCCO3)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=C1C=C(C=C2)C)NC(=O)CCC3N(CCCO3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H44N4O7/c1-7-19(3)26(28(37)38)33-27(36)23(16-20-17-31-22-10-9-18(2)15-21(20)22)32-24(35)11-12-25-34(13-8-14-40-25)29(39)41-30(4,5)6/h9-10,15,17,19,23,25-26,31H,7-8,11-14,16H2,1-6H3,(H,32,35)(H,33,36)(H,37,38)/t19-,23-,25?,26-/m0/s1