tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[methyl(naphthalen-1-ylmethyl)amino]-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)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[methyl(naphthalen-1-ylmethyl)amino]-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)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-oxo-ethyl)-[(E)-4-[methyl(1-naphthylmethyl)amino]-4-oxo-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R)-3-hydroxy-1-[2-[(E)-4-[methyl(1-naphthalenylmethyl)amino]-1,4-dioxobut-2-enyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S,3R)-3-hydroxy-1-[2-[(E)-4-[methyl(naphthalen-1-ylmethyl)amino]-4-oxobut-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-keto-ethyl)-[(E)-4-keto-4-[methyl(1-naphthylmethyl)amino]but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C49H66N6O12 MolecularWeight: 931.08134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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)N(C)CC1=CC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@@H](C(=O)NN(CC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)N(C)CC1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C49H66N6O12/c1-31(2)27-38(51-47(64)65-30-33-17-12-11-13-18-33)45(62)50-37(23-26-41(59)66-48(4,5)6)44(61)52-43(32(3)56)46(63)53-55(29-42(60)67-49(7,8)9)40(58)25-24-39(57)54(10)28-35-21-16-20-34-19-14-15-22-36(34)35/h11-22,24-25,31-32,37-38,43,56H,23,26-30H2,1-10H3,(H,50,62)(H,51,64)(H,52,61)(H,53,63)/b25-24+/t32-,37+,38+,43+/m1/s1