(2R)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexoxy]carbonylamino]hexoxy]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexoxy]carbonylamino]hexoxy]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexoxy]carbonylamino]hexoxy]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-6-amino-2-[[[(2S)-2,6-diaminohexoxy]-oxomethyl]amino]hexoxy]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexoxy]carbonylamino]hexoxy]carbonylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexoxy]carbonylamino]hexoxy]carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C65H111N15O13 MolecularWeight: 1310.66954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C65H111N15O13/c1-41(2)53(60(85)74-48(29-15-20-34-68)56(81)76-51(37-44-23-9-7-10-24-44)59(84)75-50(63(88)89)31-17-22-36-70)78-57(82)49(30-16-21-35-69)73-58(83)52(38-45-25-11-8-12-26-45)77-61(86)54(42(3)4)79-62(87)55(43(5)6)80-65(91)93-40-47(28-14-19-33-67)72-64(90)92-39-46(71)27-13-18-32-66/h7-12,23-26,41-43,46-55H,13-22,27-40,66-71H2,1-6H3,(H,72,90)(H,73,83)(H,74,85)(H,75,84)(H,76,81)(H,77,86)(H,78,82)(H,79,87)(H,80,91)(H,88,89)/t46-,47-,48-,49-,50+,51-,52-,53-,54-,55-/m0/s1