(4S)-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S,2S)-1-tert-butoxycarbonyl-2-methyl-butyl]amino]-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2S)-1-tert-butoxycarbonyl-2-methyl-butyl]amino]-4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-valeric acid Formula: C41H48N4O8 MolecularWeight: 724.84182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C41H48N4O8/c1-6-24(2)36(39(50)53-41(3,4)5)45-37(48)33(19-20-35(46)47)43-38(49)34(21-25-22-42-32-18-12-11-13-26(25)32)44-40(51)52-23-31-29-16-9-7-14-27(29)28-15-8-10-17-30(28)31/h7-18,22,24,31,33-34,36,42H,6,19-21,23H2,1-5H3,(H,43,49)(H,44,51)(H,45,48)(H,46,47)/t24-,33-,34-,36-/m0/s1