(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]hexanoic acid Formula: C69H125N25O15 MolecularWeight: 1544.8893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C69H125N25O15/c1-40(2)36-51(65(106)90-49(28-19-35-82-69(79)80)62(103)88-46(24-10-15-31-72)60(101)89-47(25-11-16-32-73)63(104)94-53(38-54(76)95)66(107)91-50(67(108)109)26-12-17-33-74)92-56(97)41(3)84-55(96)39-83-59(100)45(23-9-14-30-71)87-61(102)48(27-18-34-81-68(77)78)86-57(98)42(4)85-64(105)52(37-43-20-6-5-7-21-43)93-58(99)44(75)22-8-13-29-70/h5-7,20-21,40-42,44-53H,8-19,22-39,70-75H2,1-4H3,(H2,76,95)(H,83,100)(H,84,96)(H,85,105)(H,86,98)(H,87,102)(H,88,103)(H,89,101)(H,90,106)(H,91,107)(H,92,97)(H,93,99)(H,94,104)(H,108,109)(H4,77,78,81)(H4,79,80,82)/t41-,42-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1