(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butyric acid Formula: C50H73N11O12 MolecularWeight: 1020.18112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C50H73N11O12/c1-8-29(6)41(60-45(67)35(19-27(2)3)55-39(64)24-53-48(70)42(30(7)63)61-43(65)34(51)20-31-15-11-9-12-16-31)49(71)58-38(25-62)47(69)56-36(21-32-17-13-10-14-18-32)44(66)57-37(22-33-23-52-26-54-33)46(68)59-40(28(4)5)50(72)73/h9-18,23,26-30,34-38,40-42,62-63H,8,19-22,24-25,51H2,1-7H3,(H,52,54)(H,53,70)(H,55,64)(H,56,69)(H,57,66)(H,58,71)(H,59,68)(H,60,67)(H,61,65)(H,72,73)/t29-,30+,34-,35-,36-,37-,38-,40-,41-,42-/m0/s1