(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanyl-propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanyl-propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-6-(tert-butoxycarbonylamino)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-6-(tert-butoxycarbonylamino)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]proline Formula: C42H57N5O12 MolecularWeight: 823.92828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C42H57N5O12/c1-41(2,3)58-34(49)22-31(35(50)44-30(37(52)47-21-13-19-33(47)38(53)54)18-11-12-20-43-39(55)59-42(4,5)6)45-36(51)32(23-48)46-40(56)57-24-29-27-16-9-7-14-25(27)26-15-8-10-17-28(26)29/h7-10,14-17,29-33,48H,11-13,18-24H2,1-6H3,(H,43,55)(H,44,50)(H,45,51)(H,46,56)(H,53,54)/t30-,31-,32-,33-/m0/s1