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

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C30H40N6O8 MolecularWeight: 612.674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N6O8/c1-17(2)26(31)29(42)36-22(14-20-9-11-21(37)12-10-20)27(40)33-15-24(38)32-16-25(39)35-23(13-19-7-5-4-6-8-19)28(41)34-18(3)30(43)44/h4-12,17-18,22-23,26,37H,13-16,31H2,1-3H3,(H,32,38)(H,33,40)(H,34,41)(H,35,39)(H,36,42)(H,43,44)/t18-,22-,23-,26-/m0/s1