(2S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]propanoyl]amino]propionic acid Formula: C30H42N10O10 MolecularWeight: 702.71548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C30H42N10O10/c1-14(31)25(44)38-20(8-17-4-6-19(41)7-5-17)28(47)39-21(9-18-11-33-13-35-18)29(48)40-22(10-23(32)42)27(46)34-12-24(43)36-15(2)26(45)37-16(3)30(49)50/h4-7,11,13-16,20-22,41H,8-10,12,31H2,1-3H3,(H2,32,42)(H,33,35)(H,34,46)(H,36,43)(H,37,45)(H,38,44)(H,39,47)(H,40,48)(H,49,50)/t14-,15-,16-,20-,21-,22-/m0/s1