methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[4-[7-[4-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-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]-4-methyl-pentanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[4-[7-[4-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-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]-4-methyl-pentanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[4-[[7-[4-[[(1S)-2-hydroxy-1-[[(1S)-1-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]amino]-4-oxo-butoxy]-2-naphthyl]oxy]butanoylamino]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[4-[[7-[4-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutoxy]-2-naphthalenyl]oxy]-1-oxobutyl]amino]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[4-[7-[4-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutoxy]naphthalen-2-yl]oxybutanoylamino]butanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[4-[7-[4-[[(1S)-2-hydroxy-1-[[(1S)-1-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]amino]-4-keto-butoxy]-2-naphthoxy]butanoylamino]butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C58H78N6O16 MolecularWeight: 1115.27052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)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(CC4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)[C@H](C(C)O)NC(=O)CCCOC2=CC3=C(C=C2)C=CC(=C3)OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C58H78N6O16/c1-33(2)27-45(53(71)61-47(57(75)77-7)29-37-13-19-41(67)20-14-37)59-55(73)51(35(5)65)63-49(69)11-9-25-79-43-23-17-39-18-24-44(32-40(39)31-43)80-26-10-12-50(70)64-52(36(6)66)56(74)60-46(28-34(3)4)54(72)62-48(58(76)78-8)30-38-15-21-42(68)22-16-38/h13-24,31-36,45-48,51-52,65-68H,9-12,25-30H2,1-8H3,(H,59,73)(H,60,74)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t35?,36?,45-,46-,47-,48-,51-,52-/m0/s1