(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]propionic acid Formula: C44H80N14O13S MolecularWeight: 1045.257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H80N14O13S/c1-20(2)18-29(55-35(62)24(8)50-34(61)23(7)45)39(66)57-33(22(5)6)42(69)54-26(12-11-16-49-44(47)48)36(63)52-27(13-14-31(46)60)37(64)53-28(15-17-72-10)38(65)56-30(19-59)40(67)58-32(21(3)4)41(68)51-25(9)43(70)71/h20-30,32-33,59H,11-19,45H2,1-10H3,(H2,46,60)(H,50,61)(H,51,68)(H,52,63)(H,53,64)(H,54,69)(H,55,62)(H,56,65)(H,57,66)(H,58,67)(H,70,71)(H4,47,48,49)/t23-,24-,25-,26-,27-,28-,29-,30-,32-,33-/m0/s1