(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-4-amino-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-amino-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C44H68N10O15 MolecularWeight: 977.06872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H68N10O15/c1-20(2)15-31(44(67)68)52-41(64)30(18-34(58)59)50-40(63)29(17-32(45)56)51-42(65)35(21(3)4)54-43(66)36(22(5)6)53-38(61)24(8)47-33(57)19-46-37(60)23(7)48-39(62)28(49-25(9)55)16-26-11-13-27(69-10)14-12-26/h11-14,20-24,28-31,35-36H,15-19H2,1-10H3,(H2,45,56)(H,46,60)(H,47,57)(H,48,62)(H,49,55)(H,50,63)(H,51,65)(H,52,64)(H,53,61)(H,54,66)(H,58,59)(H,67,68)/t23-,24-,28-,29-,30-,31-,35-,36-/m0/s1