methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-(4-hydroxyphenyl)-4-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-(4-hydroxyphenyl)-4-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C32H52N6O10 MolecularWeight: 680.78948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCC(C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CO)N)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C32H52N6O10/c1-16(2)26(31(46)38-27(17(3)4)32(47)48-7)37-25(42)13-12-24(41)23(14-20-8-10-21(40)11-9-20)36-29(44)19(6)34-28(43)18(5)35-30(45)22(33)15-39/h8-11,16-19,22-24,26-27,39-41H,12-15,33H2,1-7H3,(H,34,43)(H,35,45)(H,36,44)(H,37,42)(H,38,46)/t18-,19-,22-,23-,24-,26-,27-/m0/s1