tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-oxo-ethyl)-[(E)-4-ethoxy-4-oxo-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R)-1-[2-[(E)-4-ethoxy-1,4-dioxobut-2-enyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-ethoxy-4-oxobut-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-keto-ethyl)-[(E)-4-ethoxy-4-keto-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C39H59N5O13 MolecularWeight: 805.91146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(C(C)O)C(=O)NN(CC(=O)OC(C)(C)C)C(=O)C=CC(=O)OCC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NN(CC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)OCC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C39H59N5O13/c1-11-24(3)32(42-37(53)55-23-26-16-14-13-15-17-26)35(51)40-27(18-20-30(48)56-38(5,6)7)34(50)41-33(25(4)45)36(52)43-44(22-31(49)57-39(8,9)10)28(46)19-21-29(47)54-12-2/h13-17,19,21,24-25,27,32-33,45H,11-12,18,20,22-23H2,1-10H3,(H,40,51)(H,41,50)(H,42,53)(H,43,52)/b21-19+/t24-,25+,27-,32-,33-/m0/s1