(2S)-2-[2-[2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[2-[2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(glycylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C38H60N10O12 MolecularWeight: 848.9428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CN

Isomeric SMILES

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

InChI

InChI=1S/C38H60N10O12/c1-19(2)12-25(35(56)42-15-28(51)41-18-31(54)46-26(38(59)60)13-23-8-10-24(49)11-9-23)45-30(53)17-40-29(52)16-43-36(57)32(20(3)4)48-37(58)33(21(5)6)47-34(55)22(7)44-27(50)14-39/h8-11,19-22,25-26,32-33,49H,12-18,39H2,1-7H3,(H,40,52)(H,41,51)(H,42,56)(H,43,57)(H,44,50)(H,45,53)(H,46,54)(H,47,55)(H,48,58)(H,59,60)/t22-,25-,26-,32-,33-/m0/s1