(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]propionic acid Formula: C35H62N12O10 MolecularWeight: 810.94118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CO)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N

InChI

InChI=1S/C35H62N12O10/c1-19(2)13-26(46-29(50)20(3)42-33(54)25(10-6-8-12-37)45-30(51)23(38)17-48)34(55)47-27(14-22-15-39-18-41-22)31(52)40-16-28(49)44-24(9-5-7-11-36)32(53)43-21(4)35(56)57/h15,18-21,23-27,48H,5-14,16-17,36-38H2,1-4H3,(H,39,41)(H,40,52)(H,42,54)(H,43,53)(H,44,49)(H,45,51)(H,46,50)(H,47,55)(H,56,57)/t20-,21-,23-,24-,25-,26-,27-/m0/s1