1-[2-[2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-[[2-[[5-amino-2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-[[2-[[5-amino-2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-[[2-[[2-[[2-[[2-[[2-[2-(alanylamino)propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]acetyl]proline Formula: C45H66N12O15 MolecularWeight: 1015.07694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NCC(=O)N3CCCC3C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NCC(=O)N3CCCC3C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C45H66N12O15/c1-6-21(2)36(56-42(68)30(17-35(61)62)53-39(65)24(5)50-37(63)22(3)46)44(70)55-31(20-58)43(69)52-28(13-14-33(47)59)40(66)54-29(16-25-18-48-27-11-8-7-10-26(25)27)41(67)51-23(4)38(64)49-19-34(60)57-15-9-12-32(57)45(71)72/h7-8,10-11,18,21-24,28-32,36,48,58H,6,9,12-17,19-20,46H2,1-5H3,(H2,47,59)(H,49,64)(H,50,63)(H,51,67)(H,52,69)(H,53,65)(H,54,66)(H,55,70)(H,56,68)(H,61,62)(H,71,72)