(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]prolyl]amino]acetyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propionic acid Formula: C42H65N9O12 MolecularWeight: 888.0186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O

InChI

InChI=1S/C42H65N9O12/c1-21(2)18-29(47-35(55)28(43)19-26-12-14-27(53)15-13-26)36(56)45-23(5)41(61)51-17-9-10-30(51)37(57)44-20-32(54)50-16-8-11-31(50)38(58)48-33(22(3)4)39(59)49-34(25(7)52)40(60)46-24(6)42(62)63/h12-15,21-25,28-31,33-34,52-53H,8-11,16-20,43H2,1-7H3,(H,44,57)(H,45,56)(H,46,60)(H,47,55)(H,48,58)(H,49,59)(H,62,63)/t23-,24-,25+,28-,29-,30-,31-,33-,34-/m0/s1