(4S)-4-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-prop

Systemtic Name: (4S)-4-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-5-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S)-1-oxidanyl-1-oxidanylidene-prop Openeye Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-met CAS Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopent IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1- Traditional Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]-5-[[(1S,2S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-keto-butyl]carbamoyl] Formula: C70H114N22O26 MolecularWeight: 1679.78596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N

InChI

InChI=1S/C70H114N22O26/c1-6-33(4)56(69(116)86-41(18-21-49(75)97)61(108)89-44(26-50(76)98)63(110)80-34(5)70(117)118)92-62(109)42(19-22-54(102)103)85-59(106)38(11-7-9-23-71)82-65(112)46(28-52(78)100)90-68(115)55(32(2)3)91-66(113)43(25-35-13-15-36(95)16-14-35)88-60(107)39(12-8-10-24-72)83-67(114)47(31-94)81-53(101)29-79-58(105)40(17-20-48(74)96)84-64(111)45(27-51(77)99)87-57(104)37(73)30-93/h13-16,32-34,37-47,55-56,93-95H,6-12,17-31,71-73H2,1-5H3,(H2,74,96)(H2,75,97)(H2,76,98)(H2,77,99)(H2,78,100)(H,79,105)(H,80,110)(H,81,101)(H,82,112)(H,83,114)(H,84,111)(H,85,106)(H,86,116)(H,87,104)(H,88,107)(H,89,108)(H,90,115)(H,91,113)(H,92,109)(H,102,103)(H,117,118)/t33-,34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-,56-/m0/s1