N-[(2R)-1-[[(1R,2S,5S,8R,11S,14R,17R)-8-[(1R)-1-Hydroxyethyl]-5-(hydroxymethyl)-2-methyl-11,17-bis(2-methylpropyl)-4,7,10,13,16,19-hexaoxo-14-(phenylmethyl)-3-oxa-6,9,12,15,18-pentazacyclononadec-1-yl

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CAS
179733-11-0
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Catalog Number

ACM179733110

Product Name

N-[(2R)-1-[[(1R,2S,5S,8R,11S,14R,17R)-8-[(1R)-1-Hydroxyethyl]-5-(hydroxymethyl)-2-methyl-11,17-bis(2-methylpropyl)-4,7,10,13,16,19-hexaoxo-14-(phenylmethyl)-3-oxa-6,9,12,15,18-pentazacyclononadec-1-yl

CAS

179733-11-0

Category

Heterocyclic Organic Compound

Synonyms

Kahalalide A, AIDS023791, AIDS-023791, CID72942, 179733-11-0, L-Serine, N-(N-(N-(N-(N-(N-(N-(2-methyl-1-oxobutyl)-D-phenylalanyl)-L-threonyl)-D-leucyl)-D-phenylalanyl)-D-leucyl)-L-threonyl)-, rho-lactone

IUPAC Name

N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide

Molecular Weight

894.064 g/mol

Molecular Formula

C₄₆H₆₇N₇O₁₁

Canonical SMILES

CCC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)C(C)O)CO)C

InChI Key

WEBZVDAMOOBHRC-DRVIOHKISA-N

Boiling Point

1268.8ºC at 760 mmHg

Flash Point

721.2ºC