(phenylmethyl) (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-1,5-bis(oxidanylidene)-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-1,5-bis(oxidanylidene)-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2R)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylcarbamoyl)-4-oxo-4-(tritylamino)butyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1,5-dioxo-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-1,5-dioxo-5-(tritylamino)pentan-2-yl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[(2S)-4-tert-butoxy-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylcarbamoyl)-4-keto-4-(tritylamino)butyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C77H95N7O12 MolecularWeight: 1310.6179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)OCC1=CC=CC=C1)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(=O)OCC1=CC=CC=C1)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C77H95N7O12/c1-48(2)42-62(70(88)79-63(43-49(3)4)72(90)82-68(51(7)8)73(91)80-64(45-67(86)96-76(9,10)11)71(89)81-65(44-50(5)6)74(92)94-46-52-28-16-12-17-29-52)78-61(69(87)83-75(93)95-47-60-58-38-26-24-36-56(58)57-37-25-27-39-59(57)60)40-41-66(85)84-77(53-30-18-13-19-31-53,54-32-20-14-21-33-54)55-34-22-15-23-35-55/h12-39,48-51,60-65,68,78H,40-47H2,1-11H3,(H,79,88)(H,80,91)(H,81,89)(H,82,90)(H,84,85)(H,83,87,93)/t61-,62-,63+,64-,65+,68-/m0/s1