(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C58H103N17O18S MolecularWeight: 1358.60652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)N)O

InChI

InChI=1S/C58H103N17O18S/c1-27(2)22-38(72-53(88)39(23-28(3)4)73-54(89)40(24-29(5)6)74-55(90)45(60)33(11)76)52(87)70-35(16-18-44(80)81)50(85)65-26-43(79)75-46(30(7)8)56(91)71-36(19-21-94-12)51(86)67-31(9)47(82)66-32(10)48(83)69-34(14-13-20-63-58(61)62)49(84)64-25-42(78)68-37(57(92)93)15-17-41(59)77/h27-40,45-46,76H,13-26,60H2,1-12H3,(H2,59,77)(H,64,84)(H,65,85)(H,66,82)(H,67,86)(H,68,78)(H,69,83)(H,70,87)(H,71,91)(H,72,88)(H,73,89)(H,74,90)(H,75,79)(H,80,81)(H,92,93)(H4,61,62,63)/t31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,45-,46-/m0/s1