(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butyric acid Formula: C50H68N8O11 MolecularWeight: 957.12192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(C(C)C)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C50H68N8O11/c1-28(2)23-36(51)44(62)54-37(24-31-11-8-7-9-12-31)45(63)52-27-41(61)53-39(26-33-16-20-35(60)21-17-33)49(67)58-22-10-13-40(58)47(65)56-42(29(3)4)48(66)55-38(25-32-14-18-34(59)19-15-32)46(64)57-43(30(5)6)50(68)69/h7-9,11-12,14-21,28-30,36-40,42-43,59-60H,10,13,22-27,51H2,1-6H3,(H,52,63)(H,53,61)(H,54,62)(H,55,66)(H,56,65)(H,57,64)(H,68,69)/t36-,37-,38-,39-,40-,42-,43-/m0/s1