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(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1

Systemtic Name:	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-azanyl-1-[[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1
Openeye Name:	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[(1S)-2-[[2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-4-amino-1-[[(1S)-1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]amino]-1-methyl-2
CAS Name:	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-2-methyl-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]
IUPAC Name:	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopro
Traditional Name:	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-propanoyl]amino]propanoyl]amino]-N-[(1S)-2-[[2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-4-amino-4-keto-1-[[(1S)-3-methyl-1-methylol-butyl]carbamoyl]butyl]amino]-2-keto-1,1-dimethyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1,1-dimethyl-ethyl]amino]-2-keto-1-methyl-eth
Formula:	C₇₂H₁₁₈N₁₈O₁₉
MolecularWeight:	1539.81652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109)/t38-,39-,40-,43-,46-,47-,48-,49-,50-,53-/m0/s1

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