(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-azanyl-2,2-dimethyl-3-oxidanylidene-pentanoyl]amino]propanoyl]amino]-2-methyl-pentanoyl]oxy-3-methyl-pentanoyl]amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]ethanoyl-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-azanyl-2,2-dimethyl-3-oxidanylidene-pentanoyl]amino]propanoyl]amino]-2-methyl-pentanoyl]oxy-3-methyl-pentanoyl]amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]ethanoyl-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-amino-2,2-dimethyl-3-oxo-pentanoyl]amino]propanoyl]amino]-2-methyl-pentanoyl]oxy-3-methyl-pentanoyl]amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]acetyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-amino-2,2-dimethyl-1,3-dioxopentyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopentoxy]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]-methylamino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-amino-2,2-dimethyl-3-oxopentanoyl]amino]propanoyl]amino]-2-methylpentanoyl]oxy-3-methylpentanoyl]amino]acetyl]-methylamino]-4-methylpentanoyl]amino]acetyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2S,3R)-3-[[(2S)-2-[[(4S)-4-amino-3-keto-2,2-dimethyl-pentanoyl]amino]propanoyl]amino]-2-methyl-pentanoyl]oxy-3-methyl-pentanoyl]amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]acetyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-(4-methoxyphenyl)propionic acid Formula: C50H82N8O13 MolecularWeight: 1003.23188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NCC(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=C(C=C1)OC)C(=O)O)OC(=O)C(C)C(CC)NC(=O)C(C)NC(=O)C(C)(C)C(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)OC)C(=O)O)OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)N

InChI

InChI=1S/C50H82N8O13/c1-17-29(7)41(71-48(68)30(8)35(18-2)55-43(62)32(10)54-49(69)50(11,12)42(61)31(9)51)45(64)53-25-38(59)56(13)36(23-27(3)4)44(63)52-26-39(60)58(15)40(28(5)6)46(65)57(14)37(47(66)67)24-33-19-21-34(70-16)22-20-33/h19-22,27-32,35-37,40-41H,17-18,23-26,51H2,1-16H3,(H,52,63)(H,53,64)(H,54,69)(H,55,62)(H,66,67)/t29-,30-,31-,32-,35+,36-,37-,40-,41-/m0/s1