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(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]ami

Systemtic Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1-[[(2S,3R)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]ami
Openeye Name:	(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]a
CAS Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxob
IUPAC Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-su
Traditional Name:	(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-4-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-propano
Formula:	C₆₆H₁₁₃N₁₉O₂₇S₂
MolecularWeight:	1668.84452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)N

InChI

InChI=1S/C66H113N19O27S2/c1-10-30(6)48(70)63(108)81-41(26-88)61(106)80-40(25-87)60(105)79-39(24-86)59(104)74-33(13-11-12-19-67)55(100)78-38(22-47(95)96)57(102)82-42(27-113)62(107)75-36(18-20-114-9)53(98)71-23-45(92)73-34(15-17-46(93)94)54(99)72-31(7)52(97)83-49(28(2)3)64(109)76-35(14-16-43(68)90)56(101)77-37(21-44(69)91)58(103)85-51(32(8)89)65(110)84-50(29(4)5)66(111)112/h28-42,48-51,86-89,113H,10-27,67,70H2,1-9H3,(H2,68,90)(H2,69,91)(H,71,98)(H,72,99)(H,73,92)(H,74,104)(H,75,107)(H,76,109)(H,77,101)(H,78,100)(H,79,105)(H,80,106)(H,81,108)(H,82,102)(H,83,97)(H,84,110)(H,85,103)(H,93,94)(H,95,96)(H,111,112)/t30-,31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,48-,49-,50-,51-/m0/s1

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