(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-(decanoylamino)-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-(decanoylamino)-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-(decanoylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-1-oxo-2-(1-oxodecylamino)pentyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-(decanoylamino)-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-(caprylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]succinic acid Formula: C65H111N15O23 MolecularWeight: 1470.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C65H111N15O23/c1-11-13-14-15-16-17-18-24-47(85)71-40(27-32(3)4)59(96)79-52(38(10)83)64(101)80-26-21-23-45(80)61(98)78-51(37(9)82)63(100)70-36(8)54(91)73-41(28-46(67)84)57(94)69-34(6)53(90)68-35(7)55(92)76-44(31-81)60(97)72-39(22-19-20-25-66)56(93)77-50(33(5)12-2)62(99)74-42(29-48(86)87)58(95)75-43(65(102)103)30-49(88)89/h32-45,50-52,81-83H,11-31,66H2,1-10H3,(H2,67,84)(H,68,90)(H,69,94)(H,70,100)(H,71,85)(H,72,97)(H,73,91)(H,74,99)(H,75,95)(H,76,92)(H,77,93)(H,78,98)(H,79,96)(H,86,87)(H,88,89)(H,102,103)/t33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,50-,51-,52-/m0/s1