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

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]pyrrolidin-2- Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propano CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxome IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]prolyl]amino]acetyl]amino]propanoyl]amino]-3-h Formula: C87H153N25O27 MolecularWeight: 1981.29702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C87H153N25O27/c1-15-46(11)67(93)82(133)102-53(27-30-63(92)118)75(126)105-56(35-43(5)6)78(129)101-51(25-28-61(90)116)74(125)100-52(26-29-62(91)117)76(127)107-57(39-113)73(124)95-36-64(119)97-48(13)71(122)94-38-66(121)99-55(34-42(3)4)79(130)109-69(45(9)10)84(135)104-54(23-18-20-32-89)86(137)112-33-21-24-60(112)81(132)96-37-65(120)98-49(14)72(123)106-58(40-114)80(131)110-68(44(7)8)83(134)103-50(22-17-19-31-88)77(128)111-70(47(12)16-2)85(136)108-59(41-115)87(138)139/h42-60,67-70,113-115H,15-41,88-89,93H2,1-14H3,(H2,90,116)(H2,91,117)(H2,92,118)(H,94,122)(H,95,124)(H,96,132)(H,97,119)(H,98,120)(H,99,121)(H,100,125)(H,101,129)(H,102,133)(H,103,134)(H,104,135)(H,105,126)(H,106,123)(H,107,127)(H,108,136)(H,109,130)(H,110,131)(H,111,128)(H,138,139)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-,69-,70-/m0/s1