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

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-(methylthio)butyric acid Formula: C49H81N15O15S MolecularWeight: 1152.32394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CCSC)C(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)O)N

InChI

InChI=1S/C49H81N15O15S/c1-25(2)20-28(50)40(70)58-29(12-9-18-55-49(53)54)41(71)59-31(14-16-37(52)68)43(73)63-35(24-66)46(76)60-30(13-15-36(51)67)42(72)62-33(21-27-10-7-6-8-11-27)44(74)64-39(26(3)4)47(77)56-22-38(69)57-34(23-65)45(75)61-32(48(78)79)17-19-80-5/h6-8,10-11,25-26,28-35,39,65-66H,9,12-24,50H2,1-5H3,(H2,51,67)(H2,52,68)(H,56,77)(H,57,69)(H,58,70)(H,59,71)(H,60,76)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,78,79)(H4,53,54,55)/t28-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1