(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]glutaric acid Formula: C57H87N11O14 MolecularWeight: 1150.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C57H87N11O14/c1-11-33(7)47(67-50(74)36(10)61-44(69)29-60-52(76)41(26-32(5)6)66-53(77)43(28-38-21-17-14-18-22-38)65-51(75)39(58)25-31(3)4)55(79)62-35(9)49(73)59-30-45(70)63-42(27-37-19-15-13-16-20-37)54(78)68-48(34(8)12-2)56(80)64-40(57(81)82)23-24-46(71)72/h13-22,31-36,39-43,47-48H,11-12,23-30,58H2,1-10H3,(H,59,73)(H,60,76)(H,61,69)(H,62,79)(H,63,70)(H,64,80)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,71,72)(H,81,82)/t33-,34-,35-,36-,39-,40-,41-,42-,43-,47-,48-/m0/s1