methyl (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-6-azanyl-hexanoyl]amino]-6-methyl-2-(2-methylpropyl)-3-oxidanyl-heptanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-6-azanyl-hexanoyl]amino]-6-methyl-2-(2-methylpropyl)-3-oxidanyl-heptanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-6-amino-hexanoyl]amino]-3-hydroxy-2-isobutyl-6-methyl-heptanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-6-amino-1-oxohexyl]amino]-3-hydroxy-6-methyl-2-(2-methylpropyl)-1-oxoheptyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxy-6-methyl-2-(2-methylpropyl)heptanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S,3R,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-6-amino-hexanoyl]amino]-3-hydroxy-2-isobutyl-6-methyl-heptanoyl]amino]propionic acid methyl ester Formula: C29H55N5O7 MolecularWeight: 585.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C)O)C(=O)NC(C)C(=O)OC

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@@H](CC(C)C)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)C)O

InChI

InChI=1S/C29H55N5O7/c1-16(2)14-21(26(37)31-19(7)29(40)41-9)25(36)23(15-17(3)4)34-27(38)22(12-10-11-13-30)33-28(39)24(18(5)6)32-20(8)35/h16-19,21-25,36H,10-15,30H2,1-9H3,(H,31,37)(H,32,35)(H,33,39)(H,34,38)/t19-,21-,22-,23-,24-,25+/m0/s1