(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3S)-2-[2-[[(2S)-5-azanyl-2-[2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-5-oxidanylidene-pentanoyl]

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3S)-2-[2-[[(2S)-5-azanyl-2-[2-[2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]ethanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-5-oxidanylidene-pentanoyl] Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-methylpentanoic IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amino]acetyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C67H112N20O21 MolecularWeight: 1533.72758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)CNC(=O)CNC(=O)C(C(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C67H112N20O21/c1-10-34(7)54(84-52(95)31-75-57(97)37(16-21-45(68)88)78-51(94)30-74-50(93)29-76-62(102)53(73)33(5)6)64(104)85-55(35(8)11-2)63(103)82-41(20-25-49(72)92)66(106)87-27-13-15-44(87)61(101)80-39(18-23-47(70)90)58(98)81-40(19-24-48(71)91)65(105)86-26-12-14-43(86)60(100)77-36(9)56(96)79-38(17-22-46(69)89)59(99)83-42(67(107)108)28-32(3)4/h32-44,53-55H,10-31,73H2,1-9H3,(H2,68,88)(H2,69,89)(H2,70,90)(H2,71,91)(H2,72,92)(H,74,93)(H,75,97)(H,76,102)(H,77,100)(H,78,94)(H,79,96)(H,80,101)(H,81,98)(H,82,103)(H,83,99)(H,84,95)(H,85,104)(H,107,108)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-/m0/s1