(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-pr

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-pr Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-4-ox CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[(2S)-2-[[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-y IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2S)-2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutano Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]acetyl]prolyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C75H114N20O22 MolecularWeight: 1647.82846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)N4CCCC4C(=O)NC(CC5=CN=CN5)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CN=CN5)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C75H114N20O22/c1-6-40(4)60(91-64(105)45(18-10-11-25-76)83-68(109)52(37-96)90-67(108)49(33-57(78)99)86-63(104)46(23-24-56(77)98)84-62(103)44-19-12-26-80-44)74(115)95-29-14-20-53(95)69(110)81-36-58(100)93-27-13-21-54(93)71(112)92-61(41(5)97)72(113)87-48(31-42-16-8-7-9-17-42)66(107)85-47(30-39(2)3)65(106)88-50(34-59(101)102)73(114)94-28-15-22-55(94)70(111)89-51(75(116)117)32-43-35-79-38-82-43/h7-9,16-17,35,38-41,44-55,60-61,80,96-97H,6,10-15,18-34,36-37,76H2,1-5H3,(H2,77,98)(H2,78,99)(H,79,82)(H,81,110)(H,83,109)(H,84,103)(H,85,107)(H,86,104)(H,87,113)(H,88,106)(H,89,111)(H,90,108)(H,91,105)(H,92,112)(H,101,102)(H,116,117)/t40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1