[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S,3R)-2-[4-[7-[4-[[(2S,3R)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-(phenylcarbonyloxy)butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butoxy]naphthalen-2-yl]oxybutanoylamino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]butanoyl] benzoate

Systemtic Name: [(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S,3R)-2-[4-[7-[4-[[(2S,3R)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-(phenylcarbonyloxy)butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butoxy]naphthalen-2-yl]oxybutanoylamino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]butanoyl] benzoate Openeye Name: [(2S)-2-[[(2S)-2-[[(2S,3R)-2-[4-[[7-[4-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-benzoyloxycarbonyl-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butoxy]-2-naphthyl]oxy]butanoylamino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl] benzoate CAS Name: benzoic acid [(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[4-[[7-[4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-benzoyloxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutoxy]-2-naphthalenyl]oxy]-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl] ester IUPAC Name: [(2S)-2-[[(2S)-2-[[(2S,3R)-2-[4-[7-[4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-benzoyloxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutoxy]naphthalen-2-yl]oxybutanoylamino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl] benzoate Traditional Name: benzoic acid [(2S)-2-[[(2S)-2-[[(2S,3R)-2-[4-[7-[4-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-benzoyloxycarbonyl-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-keto-butoxy]-2-naphthoxy]butanoylamino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl] ester Formula: C62H82N6O16 MolecularWeight: 1167.34508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)OC(=O)C1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CCCOC2=CC3=C(C=C2)C=CC(=C3)OCCCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC(=O)C1=CC=CC=C1)NC(=O)CCCOC2=CC3=C(C=C2)C=CC(=C3)OCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C62H82N6O16/c1-35(2)31-47(55(73)67-51(37(5)6)61(79)83-59(77)42-19-13-11-14-20-42)63-57(75)53(39(9)69)65-49(71)23-17-29-81-45-27-25-41-26-28-46(34-44(41)33-45)82-30-18-24-50(72)66-54(40(10)70)58(76)64-48(32-36(3)4)56(74)68-52(38(7)8)62(80)84-60(78)43-21-15-12-16-22-43/h11-16,19-22,25-28,33-40,47-48,51-54,69-70H,17-18,23-24,29-32H2,1-10H3,(H,63,75)(H,64,76)(H,65,71)(H,66,72)(H,67,73)(H,68,74)/t39-,40-,47+,48+,51+,52+,53+,54+/m1/s1