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(2S)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-propanoyl]amino]-3-met

Systemtic Name:	(2S)-2-[[(2S)-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-propanoyl]amino]-3-met
Openeye Name:	(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanoyl]amino]-3-methyl-pentanoyl]amino]
CAS Name:	(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-[[(2R,3R,4R,5R,6R)-5-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1
IUPAC Name:	(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-(4-hydrox
Traditional Name:	(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-(
Formula:	C₆₆H₁₀₇N₁₅O₃₃
MolecularWeight:	1638.63648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C66H107N15O33/c1-5-25(3)43(60(105)73-19-41(89)74-31(16-27-9-11-28(86)12-10-27)56(101)77-33(62(107)108)18-42(90)91)80-59(104)35(24-109-63-50(97)47(94)52(37(22-84)111-63)114-65-51(98)48(95)53(38(23-85)112-65)113-64-49(96)46(93)45(92)36(21-83)110-64)79-55(100)30(13-14-39(68)87)75-61(106)44(26(4)6-2)81-57(102)32(17-40(69)88)76-58(103)34(20-82)78-54(99)29(67)8-7-15-72-66(70)71/h9-12,25-26,29-38,43-53,63-65,82-86,92-98H,5-8,13-24,67H2,1-4H3,(H2,68,87)(H2,69,88)(H,73,105)(H,74,89)(H,75,106)(H,76,103)(H,77,101)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,90,91)(H,107,108)(H4,70,71,72)/t25-,26-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52-,53-,63+,64+,65+/m0/s1

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