(2S)-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl(3-methylpentanoyl)amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl(3-methylpentanoyl)amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl(3-methylpentanoyl)amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-3-hydroxy-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl-(3-methyl-1-oxopentyl)amino]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-hydroxy-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl(3-methylpentanoyl)amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-3-hydroxy-2-[methyl-[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-2-[methyl-[(2S)-2-[[(2S)-3-methyl-2-[methyl(3-methylpentanoyl)amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]pentanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propionic acid Formula: C64H94N8O11 MolecularWeight: 1151.47816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N(C)C(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(C(C)CC)C(=O)N(C)C(C(C)C)C(=O)NC(CC(C)C)C(=O)N(C)C(C(C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C1=CC=CC=C1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N(C)C(=O)CC(C)CC

InChI

InChI=1S/C64H94N8O11/c1-15-42(9)36-51(73)69(12)53(40(5)6)58(76)66-48(37-44-27-20-17-21-28-44)60(78)68(11)50(38-45-29-22-18-23-30-45)62(80)72-34-26-33-49(72)57(75)67-52(43(10)16-2)63(81)70(13)54(41(7)8)59(77)65-47(35-39(3)4)61(79)71(14)55(64(82)83)56(74)46-31-24-19-25-32-46/h17-25,27-32,39-43,47-50,52-56,74H,15-16,26,33-38H2,1-14H3,(H,65,77)(H,66,76)(H,67,75)(H,82,83)/t42?,43-,47-,48-,49-,50-,52-,53-,54-,55-,56?/m0/s1