(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C41H64N10O15 MolecularWeight: 937.00486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C41H64N10O15/c1-18(2)14-26(46-30(55)17-44-39(63)33(22(7)52)51-35(59)21(6)45-34(58)20(5)42)36(60)48-27(15-23-8-10-24(53)11-9-23)38(62)50-32(19(3)4)40(64)49-28(16-31(56)57)37(61)47-25(41(65)66)12-13-29(43)54/h8-11,18-22,25-28,32-33,52-53H,12-17,42H2,1-7H3,(H2,43,54)(H,44,63)(H,45,58)(H,46,55)(H,47,61)(H,48,60)(H,49,64)(H,50,62)(H,51,59)(H,56,57)(H,65,66)/t20-,21-,22+,25-,26-,27-,28-,32-,33-/m0/s1