(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoic aci

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoic aci Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C58H99N19O22S MolecularWeight: 1446.58576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC1=CN=CN1)NC(=O)C(CCSC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C58H99N19O22S/c1-8-26(2)43(54(94)69-35(13-15-40(62)84)52(92)73-38(24-79)58(98)99)75-57(97)44(28(4)80)74-42(86)22-65-50(90)37(23-78)72-56(96)45(29(5)81)76-47(87)27(3)67-51(91)34(12-14-39(61)83)70-55(95)46(30(6)82)77-53(93)33(11-9-10-17-59)68-41(85)21-64-49(89)36(19-31-20-63-25-66-31)71-48(88)32(60)16-18-100-7/h20,25-30,32-38,43-46,78-82H,8-19,21-24,59-60H2,1-7H3,(H2,61,83)(H2,62,84)(H,63,66)(H,64,89)(H,65,90)(H,67,91)(H,68,85)(H,69,94)(H,70,95)(H,71,88)(H,72,96)(H,73,92)(H,74,86)(H,75,97)(H,76,87)(H,77,93)(H,98,99)/t26-,27-,28+,29+,30+,32-,33-,34-,35-,36-,37-,38-,43-,44-,45-,46-/m0/s1